JOURNAL PAPERS

Year of Publication

2024

  • 124. O-and OH-induced dopant segregation in single atom alloy surfaces: A combined density functional theory and machine learning study (2024), Anne Nicole P Hipolito, Marianne A Palmero, Viejay Z Ordillo, Koji Shimizu, Darwin B Putungan, Alexandra B Santos-Putungan, Joey D Ocon, Satoshi Watanabe, Karl Ezra S Pilario, Allan Abraham B Padama

    In this study, we identified the significant factors affecting adsorbate-induced segregation in single-atom alloy (SAA) surfaces by performing Density Functional Theory (DFT)-based calculations and machine learning (ML) methods. We used O and OH species, which are key reactants in oxygen reduction reactions (ORR), as test adsorbates. We constructed SAA surfaces using different transition metals (Ag, Au, Co, Cu, Ir, Ni, Pd, Pt, and Rh) and calculated their segregation energies with and without the adsorbates to predict the segregation tendency of the dopant atom. We examined a total of 44 features which comprised of the elemental, energetics, and electronic properties of the SAAs. We employed a two-stage feature selection to reduce the number of features to the most important features for model training. We found that the formation energies, metallic radius difference, the d-band centers of the dopant in the surface and subsurface layer, the difference in surface energy between the host and dopant atoms, and the difference in the total number of d-electrons between the host and dopant atoms influence the segregation energy of the dopant induced by O and OH. Using these selected features, we implemented linear regression (LR), support vector machine regression (SVR), Gaussian process regression (GPR), and extra trees regression (ETR) algorithms to predict the segregation energies in the presence of adsorbates. For both O- and OH-SAA systems, SVR models exhibited the best performance for predicting adsorbate-induced segregation energies. Among the surfaces we considered, we determined Rh-Au(1 1 1) as a potential catalyst for ORR based on the calculated adsorption energies of O and OH and segregation energies in the presence of these adsorbates.

  • 123. Transition Pathways to 100% Renewable Energy in 208 Island Mini-grids in the Philippines (2023), MT Castro, LL Delina, and JD Ocon

    Hybrid renewable energy systems have garnered considerable attention as sustainable power sources for remote off-grid islands in the Philippines. Consequently, they have been the subject of numerous techno-economic investigations. However, comprehensive explorations into the viability of 100% renewable energy (RE) systems for these areas have been limited due to their exorbitant initial outlays. In this work, we modelled the prospective transition of off-grid island mini-grids in the Philippines from the contemporary status quo in 2020 to a fully integrated 100% RE system by 2050. Our approach involves the gradual shift towards RE adoption instead of the abrupt deployment of RE systems. This maneuver serves a twofold purpose: firstly, it mitigates the adverse economic repercussions stemming from the substantial upfront costs inherent to RE technologies; secondly, it leverages the declining future costs of these technologies. We collected an energy generation and consumption dataset across 208 mini-grids in Philippine off-grid islands. We then simulate the RE transition based on prevailing technology costs at five-year intervals from 2020 to 2050. Afterwards, different scenarios that may affect the energy transition are simulated. Our results indicate that an energy transition steered solely by market dynamics cannot achieve a 100% RE penetration; hence, we analyzed alternative scenarios promoting RE utilization. The immediate discontinuation of all diesel generators by 2050 will lead to a substantial cost uptick at the end of the transition. Integrating biodiesel yields a more measured progression of costs, although this relies upon a nascent market, rendering it susceptible to feedstock supply risks. Recognizing the intermittent nature of RE technologies, we posit that allowing for a certain degree of unmet load fosters greater RE penetration. Nevertheless, this approach compromises the reliability of the system. Our work demonstrates that a 100% RE transition in Philippine off-grid islands is technically and economically feasible. However, the energy trilemma or the tradeoff between affordability, reliability, and sustainability encumbers the realization of this transition.

2023

  • 122. [Submitted] Research-based instructional strategy via experimental and computational analyses of primary alkaline battery for exploring heterogeneous kinetics and heat transport. MT Castro, JG Tomacruz, LA Limjuco, JDR Paraggua, JD Ocon


  • 121. Templated Synthesis of Transition Metal Phosphide Electrocatalysts for Oxygen and Hydrogen Evolution Reactions, Journal of Energy Chemistry (2023), RA Acedera, AT Dumlao, DD Matienzo, M Divinagracia , JA Paraggua, PA Chuang and JD Ocon

    Abstract:


    Transition metal phosphides (TMPs) have been regarded as alternative hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) catalysts owing to their comparable activity to those of noble metal-based catalysts. TMPs have been produced in various morphologies through different synthesis methods. Among these methods, templated routes prove to be effective in producing hollow and porous nanostructures, which are features deemed desirable for electrocatalytic materials. In this paper, the latest advances in the synthesis of TMP-based OER and HER catalysts through templated methods are presented. A comprehensive review of the structure–property–performance of TMP-based HER and OER catalysts prepared using different templates is presented. This review focuses on hard templates, such as anodic aluminum oxide, sacrificial templates based on metal–organic frameworks, and micelle-forming soft templates. Results of recent reports on an emerging self-template route, the dynamic hydrogen bubble template method, are also discussed. Finally, existing challenges on each templated synthesis method are identified, and prospective research directions are proposed.

  • 120. [Submitted] Energy, power, and cost optimization of a sodium-ion battery pack via a combined physics-based and cost modeling approach. Renewable and Sustainable Energy Reviews (2023), Castro, M.T., Domalanta, M.R.B., Paraggua, J.A.D.R., Ocon, J.D.

    Abstract:

    Sodium-ion (Na-ion) batteries are touted as the next generation alternative to lithium-ion (Li-ion) batteries as the elemental abundance of sodium addresses the supply risks in the Li-ion supply chain. Numerous studies have been carried out on the design of Li-ion batteries for energy, power, and cost, but analogous work has yet to be performed for Na-ion batteries. In this work, we demonstrated the energy, power, and cost-optimization of a hardcarbon – sodium vanadium fluorophosphate Na-ion battery via a novel approach combining physics-based and costmodeling approach. Energy and power densities are maximized using a multiphysics model, whereas material costs are minimized with Argonne National Laboratory’s BatPac model. Both models are applied by finding the electrode thicknesses and porosities that optimizes their objective functions. The optimized Na-ion batteries are benchmarked with the commercially mature Li-ion lithium iron phosphate and nickel manganese cobalt oxide chemistries. Optimization with the physics-based model reveals that energy cells have thick and low porosity electrodes, while power cells have thin and high porosity electrodes. The cost-optimized Na-ion batteries had similar design parameters as energy cells to minimize the per-kWh material costs. The results therefore demonstrate a tradeoff between designing a battery for energy and cost versus power. The energy and cost-optimized Na-ion batteries have lower energy densities and higher costs than Li-ion batteries, although these characteristics may still be enhanced. The energy density of Na-ion batteries may be bolstered with improvements in materials science, whereas the costs of Na-ion batteries can be driven down with increased economies of scale.

  • 119. From Waste to Renewable Energy: A Policy Review on Waste-to-Energy in the Philippines, MDPI Sustainability (2023). SD Anonas, FD Eugenio, BH Flores, PH Balite, JGTomacruz , LA Limjuco, and JD Ocon

    Abstract: 

    Solid waste management issues continue to pose challenges in the Philippines. The increasing generation of waste, coupled with a foreseen lack of infrastructure for disposal, inevitably leads to overflowing sanitary landfills laced with environmental and health issues. As a result, the 

    Philippine government is placing emphasis on Waste-to-Energy (WtE) technology as an ideal and immediate solution to the waste problem. By reviewing past, current, and future government policies, and in conducting interviews, this paper explores comprehensively the Philippine policy framework regulating WtE. The analysis shows several policy gaps and concerns, which stem from the fundamental concept of treating waste as a renewable energy resource. As it stands, the current waste management framework puts heavy emphasis on waste minimization while the renewable energy framework explicitly promotes WtE technologies. To address this conflict in policy goals, several policies are recommended which are grounded on clarifying the country’s stances on waste as a renewable energy resource and WtE’s role in the waste management hierarchy. With clear policies and regulations on WtE, this will boost its potential as a key driver not only in waste management, but also in the country’s drive for renewable energy generation.

  • 118. Storm hardening and insuring energy systems in typhoon-prone regions: A technoeconomic analysis of hybrid renewable energy systems in the Philippines’ Busuanga island cluster, Energy Strategy Reviews (2023), MT Castro , LL Delina , EA Esparcia Jr., JD Ocon

    Abstract:

    Hybrid renewable energy systems (HRES) in climate-vulnerable areas are prone to extreme weatherrelated damage. This paper reports a techno-economic analysis of the impacts and benefits of storm hardening and insurance approaches on HRES assets in the Busuanga island cluster in the Philippines. We proposed probability-based expected levelized cost of electricity (LCOE) values as a cost metric for evaluating storm hardening and insurance. We found that these measures are viable if the annual probability of damage to the solar PVs is 1% and 4%, respectively. A higher weighted average cost of capital make non-hardened solar PVs cost-effective towards HRES with insured or hardened solar PV panels, provided that the solar PV can last for 15 years. Our study demonstrates the importance of accounting for the insurance and storm hardening of solar PV panels in areas in small off-grid communities. Our findings regarding the optimal balance between the cost of capital, insurance premiums, and storm hardening markups are applicable to other climate-vulnerable areas.


  • 117. Pathways towards achieving high current density water electrolysis: From material perspective to system configuration, . ChemSusChem, 16(13) (2023), Domalanta, M. R., Bamba, J. N., Matienzo, D. D., del Rosario‐Paraggua, J. A., & Ocon, J.

    Abstract:


    Hydrogen is a clean, flexible, powerful energy vector that can be leveraged as a promising alternative to fossil fuels. Additionally, green hydrogen production has been recognized as one of the most prevalent solutions to decarbonize the energy system. Water electrolysis studies have increased throughout the decade as higher industrial interest comes into play. The catalyst, system design, and configuration act in a congenial manner to deliver high-performing water electrolysis. Despite performance targets peaking at high current densities, the current status of water electrolyzer technologies would require more research efforts to achieve such goals. This work presents a comprehensive review of how catalysts and electrolyzer designs can be enhanced to attain high current density water electrolysis. Modification strategies of catalysts, advances in characterization and modelling, and optimizing system designs are highlighted. Furthermore, this paper aims to elucidate the future research direction of water electrolysis to bridge the laboratory-to-industry gap.


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  • 116. A tale of nickel-iron batteries: Its resurgence in the age of modern batteries. Batteries, 9(7), 383 (2023). Abarro, J. M., Gavan, J. N., Loresca, D. E., Ortega, M. A., Esparcia, E. A., Paraggua, J. A.

    Abstract:

    The nickel-iron (Ni-Fe) battery is a century-old technology that fell out of favor compared to modern batteries such as lead–acid and lithium-ion batteries. However, in the last decade, there has been a resurgence of interest because of its robustness and longevity, making it well-suited for niche applications, such as off-grid energy storage systems. Currently, extensive research is focused on addressing perennial issues such as iron passivation and hydrogen evolution reaction, which limit the battery’s energy density, cyclability, and rate performance. Despite efforts to modify electrode composition and morphology, these issues persist, warranting a deeper look at the development story of Ni-Fe battery improvements. In this review, the fundamental reaction mechanisms are comprehensively examined to understand the cause of persisting issues. The design improvements for both the anode and cathode of Ni-Fe batteries are discussed and summarized to identify the promising approach and provide insights on future research directions.


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  • 115. Numerical modeling and performance analysis of an acid-alkaline aluminum-air cell, Electrochimica Acta, Volume 440 (2023), M.T. Castro, J.D. Ocon

    Abstract:

    The nickel-iron (Ni-Fe) battery is a century-old technology that fell out of favor compared to modern batteries such as lead–acid and lithium-ion batteries. However, in the last decade, there has been a resurgence of interest because of its robustness and longevity, making it well-suited for niche applications, such as off-grid energy storage systems. Currently, extensive research is focused on addressing perennial issues such as iron passivation and hydrogen evolution reaction, which limit the battery’s energy density, cyclability, and rate performance. Despite efforts to modify electrode composition and morphology, these issues persist, warranting a deeper look at the development story of Ni-Fe battery improvements. In this review, the fundamental reaction mechanisms are comprehensively examined to understand the cause of persisting issues. The design improvements for both the anode and cathode of Ni-Fe batteries are discussed and summarized to identify the promising approach and provide insights on future research directions.


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2022

  • 115. Linear Programming Model For The Optimization Of The Biodiesel Supply Chain In The Mindanao Island Of The Philippines. ASEAN Engineering Journal 12:1 (2022), 1-7. Yra Mae C. Camacho, Kristin Joy Davila, Ysabela Angela V. Flores, Julie Anne del Rosario Paraggua

    Abstract: Biofuels are known to have several advantages over fossil fuels including, but not limited to, high abundance of resources, negligible SOx emissions, lower NOx emissions, and more environment-friendly processes. In the Philippines, the biofuels industry is anchored onto the Biofuels Act of 2006 which mandates the use of biofuels made from indigenous sources such as coconut. Despite this, biodiesel is still less preferred by consumers over conventional fuel due to its high cost. This can be attributed to high production costs of biodiesel, wherein 18-28% is credited to transportation of products.  This work proposes a linear programming model to reduce the overall cost of biodiesel by minimizing the transportation cost in the Philippine biodiesel supply chain, using the Mindanao cluster as case study. Multiple scenarios were done to gauge the impact of varying the supply allocation and biodiesel blend on the supply chain. The optimal supply allocation, transportation cost, and carbon footprint of each scenario were determined. A new facility locator feature was also added as an extension of the program. Results also showed high reproducibility using easily accessible programming tools such as Microsoft Excel and Python.

  • 114. Borate-Based Compounds as Mixed Polyanion Cathode Materials for Advanced Batteries, Molecules, Volume 27 (2022), G.D.D. Sanglay, J.S. Garcia, M.S. Palaganas, M. Sorolla II, S. See, L.A. Limjuco, J.D. Ocon

    Abstract:

    Rational design of new and cost-effective advanced batteries for the intended scale of application is concurrent with cathode materials development. Foundational knowledge of cathode materials’ processing–structure–properties–performance relationship is integral. In this review, we provide an overview of borate-based compounds as possible mixed polyanion cathode materials in organic electrolyte metal-ion batteries. A recapitulation of lithium-ion battery (LIB) cathode materials development provides that rationale. The combined method of data mining and high-throughput ab initio computing was briefly discussed to derive how carbonate-based compounds in sidorenkite structure were suggested. Borate-based compounds, albeit just close to stability (viz., <30 meV at−1), offer tunability and versatility and hence, potential effectivity as polyanion cathodes due to (1) diverse structures which can host alkali metal intercalation; (2) the low weight of borate relative to mature polyanion families which can translate to higher theoretical capacity; and a (3) rich chemistry which can alter the inductive effect on earth-abundant transition metals (e.g., Ni and Fe), potentially improving the open-circuit voltage (OCV) of the cell. This review paper provides a reference on the structures, properties, and synthesis routes of known borate-based compounds [viz., borophosphate (BPO), borosilicate (BSiO), and borosulfate (BSO)], as these borate-based compounds are untapped despite their potential for mixed polyanion cathode materials for advanced batteries.


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  • 113. Techno-economics of "Teal" Hydrogen Production via Combined Steam Methane Reforming and Biomass Gasification, Chemical Engineering Transactions, Volume 94 (2022), Pages 451-456, J.D. Cagape, K.A.R. Danganan, C.J.D. Galang, J.G.T. Tomacruz, M.T. Castro, J.D. Ocon

    Abstract:

    The global transition towards net-zero greenhouse gas emissions establishes a need for cleaner energy technologies. Hydrogen is a promising energy carrier whose global demand is steadily increasing and is conventionally produced through steam-methane reforming with carbon capture, or blue H2. Hydrogen production supplied by renewable energy (green H2) is an emerging process, but developing countries are not yet ready for a full transition. Augmenting blue H2 with green H2 production will allow a smoother transition until green H2 costs significantly decrease by 2050. In this work, a novel, low-cost teal hydrogen (teal H2) plant, a mixture of blue and green H2 technologies, located in the Philippines which combines steam-methane reforming, rice husk gasification, and carbon capture by monoethanolamine absorption, is proposed. Setting a production rate of 9,000 kg H2/h, the techno-economic potential of five cases with varying natural gas to rice husk contribution ratios were evaluated using AspenPlus. The levelized cost of the 25:75 teal H2 case at 1.06 USD/kg is cheaper than blue H2 and green H2 by 4.37 and 2.34 USD/kg, respectively. Moreover, the CO2-equivalent emissions of the 25:75 teal H2 case at 0.002 t CO2 -eq/1,000 Nm3 H2 is 57.10 % and 39.25 % lower than those from blue H2 and green H2. As green H2 becomes more economical, rice husk feed to the gasification process can be gradually increased to favor biomass- over petroleum-derived H2. This case study is a successful proof of concept that teal H2 may help transition the energy sector to carbon neutrality.


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  • 112. A Comparative Future Levelized Cost of Storage of Static Electrochemical and Mechanical Energy Storage Technologies in 1-MW Energy and Power Applications, Chemical Engineering Transactions, Volume 94 (2022), Pages 355-360, M.T. Castro, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    Different energy storage technologies have particular applications with advantageous techno-economic characteristics. For this reason, the present and future Levelised Costs Of Storage (LCOS) of commercially mature energy storage technologies have been analysed in the current literature. Emerging energy storage technologies, such as long-duration flywheels, are also vying to capture the energy storage market, but uncertainties linger as to which applications they can capture due to limited and reliable publicly available data. In this work, we determined the future LCOS of a typical 1 MW installation of stationary electrochemical energy storage (lead-acid, sodium-sulphur, and lithium-ion battery) and mechanical energy storage technologies (short-duration flywheel and long-duration flywheel) under different applications from 2020 to 2050 using updated relevant techno-economic parameters. Based on the present costs of energy storage, lithium-ion batteries yield the lowest LCOE across different energy storage applications, corroborating with previous outlooks from different scholarly works. The cost advantage of lithium-ion batteries compared to other storage technologies continues to rise over the years due to their rapid cost decline. In the absence of lithium-ion batteries, long-duration flywheels initially provide the lowest cost for a wide range of applications, but they face stiff competition with sodium-sulphur batteries. By 2040, sodium-sulphur batteries are projected to have a lower LCOS than long-duration flywheels. Promoters and manufacturers of emerging energy storage technologies must find ways to rapidly decrease storage costs to secure their niche in the energy storage market.


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  • 111. Selective Adsorptive Recovery of Platinum from Spent Catalytic Converter, Chemical Engineering Transactions, Volume 94 (2022), Pages 361-366, L. Limjuco, J. D. Ocon

    Abstract: 

    Ethylene glycol dimethacrylate (EGDMA) – dithiadiamide (DTDA) copolymer was synthesized by condensation reaction between monomeric mercaptoacetamide and ?-dibromoalkanes. This previously designed DTDA was complexed with Pt2+ before direct copolymerization with EGDMA. Pt2+-template was eluted with dilute HCl. The EGDMA-DTDA copolymer was evaluated for Pt2+ adsorption in terms of adsorption isotherm and selectivity. The copolymer exhibited monolayer Langmuir-type adsorption isotherm with qm = 177 mg g-1 at optimum pH = 1. It is selective to Pt2+ in a simulated solution containing the predominant cations present in an acid-leached spent 3-way, gasoline automobile catalytic converter sample (i.e., Al3+, Ba2+, Ce3+, Fe2+, Mg2+, and Zn2+).


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  • 110. Evaluation of Magnesium-based Primary Battery for Powering Transient Electronics, Chemical Engineering Transactions, Volume 94 (2022), Pages 151-156, J. M. Abarro, J. D. Ocon , J. A. D. del Rosario

    Abstract:

    A new class of technology known as transient electronics has the potential to reduce electronic waste with its unique ability to dissolve under a specific condition. Biodegradable batteries are essential to realizing fully integrated and self-sufficient systems. Pure magnesium-based materials are among the widely explored transient electrodes due to their superior mechanical properties. However, such materials have rapid degradation rates. AZ31, an alloy of Mg containing 3 % aluminum (Al) and 1 % zinc (Zn) by weight, has more stable corrosion product layers, making them advantageous as anode materials. In this work, the electrochemical performance of the two full cell combinations of Mg and AZ31 anodes each paired with copper oxide (CuO) cathode were compared in a seawater electrolyte. To produce the cathodes, pristine copper foils were galvanostatically anodized at a current density of 2.0 mA/cm2 for 90 min. Results showed that AZ31-based cell has a higher specific energy of 1.63 J/cm2 compared to pure Mg-based cell which has 1.08 J/cm2. The observed nominal operating voltages for an AZ31-based cell were 1.1 V for the first 0.6 h and remained at 0.8 V for the next 5.6 h when discharged at a current density of 0.25 mA/cm2. The AZ31-based cell also yields a better specific capacity of 2.17 mAh/cm2 and a discharge time of 8.68 h, which is twice the capacity and the discharge life of a pure Mg-based cell. The reported increase in performance is attributed to the presence of alloying components in the anode which limits the parasitic corrosion inherent in a pure Mg anode.


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  • 109. Bleed-and-Refill Cycle Immersion-based Corrosion Testing of SS304 and Al6061 Metals in E10 Ethanol-Gasoline Blends, Chemical Engineering Transactions, Volume 94 (2022), Pages 1381-1386, M. T. Alcanzare, M. T. Castro, J. D. Ocon

    Abstract:

    In this work, we propose an immersion corrosion measurement method with E10 bioethanol-gasoline blend on austenitic steel (SS304) and aluminum (Al6061). Immersion tests were designed to simulate a weekly refuel cycle and were performed over 4, 8, and 12-week durations. Polarization resistance, surface morphology, and corrosion products were then observed after the immersion tests. Corrosion rates were estimated from polarization resistance measurements via electrochemical impedance spectroscopy. Afterwards, the surface morphology of exposed samples was studied using scanning electron microscopy. Lastly, the corrosion products were characterized using scanning electron microscopy with energy dispersive X-ray analysis. Surface staining was observed in both metal substrates. It was observed that the corrosion rate of SS304 remained relatively constant throughout the immersion time. In contrast, an increment in the corrosion rate of Al6061 was observed after four weeks of immersion due to the peeling of the protective oxide layer.


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  • 108. A Techno- Economic Analysis of Steam Methane Reforming and Biomass Gasification for the Production of Teal Hydrogen, Chemical Engineering Transactions, Volume 94 (2022), Pages 451-456, . D. Cagape, K. A. Danganan, C. V. Galang, J. G. Tomacruz, J. D. Ocon

    Abstract:

    The global transition towards net-zero greenhouse gas emissions establishes a need for cleaner energy technologies. Hydrogen is a promising energy carrier whose global demand is steadily increasing and is conventionally produced through steam-methane reforming with carbon capture, or blue H2. Hydrogen production supplied by renewable energy (green H2) is an emerging process, but developing countries are not yet ready for a full transition. Augmenting blue H2 with green H2 production will allow a smoother transition until green H2 costs significantly decrease by 2050. In this work, a novel, low-cost teal hydrogen (teal H2) plant, a mixture of blue and green H2 technologies, located in the Philippines which combines steam-methane reforming, rice husk gasification, and carbon capture by monoethanolamine absorption, is proposed. Setting a production rate of 9,000 kg H2/h, the techno-economic potential of five cases with varying natural gas to rice husk contribution ratios were evaluated using AspenPlus. The levelized cost of the 25:75 teal H2 case at 1.06 USD/kg is cheaper than blue H2 and green H2 by 4.37 and 2.34 USD/kg, respectively. Moreover, the CO2-equivalent emissions of the 25:75 teal H2 case at 0.002 t CO2 -eq/1,000 Nm3 H2 is 57.10 % and 39.25 % lower than those from blue H2 and green H2. As green H2 becomes more economical, rice husk feed to the gasification process can be gradually increased to favor biomass- over petroleum-derived H2. This case study is a successful proof of concept that teal H2 may help transition the energy sector to carbon neutrality.


    Link to publisher's website >>

  • 107. Cyclic Degradation Prediction of Lithium-Ion Batteries using Data-Driven Machine Learning, Chemical Engineering Transactions, Volume 94 (2022), Pages 787-792, L. D. Lim, J. A. Abadilla, A. F. Tan, J. G. Tomacruz, M. F. Remolona, M. T. Castro, J. D. Ocon

    Abstract:

    Accurately estimating the capacity degradation of lithium-ion (Li-ion) batteries is vital in ensuring their safety and reliability in electric vehicles and portable electronics. Future capacity estimation using machine learning (ML) models allow battery lifetime predictions with minimal cycling data in the train set, well before capacity degradation occurs within the cell. The use of ML methods removes the need for prior knowledge of cell chemistry and the physical and chemical behaviors of batteries. In this paper, the data-driven ML models Gaussian process regression (GPR) and recurrent neural network – long short-term memory (RNN-LSTM) estimated the charge capacity of Li-ion batteries from the Oxford Battery Dataset, using only the battery's cycle index and capacity as input. With only 15 % of the battery’s lifetime as training data, the GPR model achieved a mean average percent error (MAPE) of 8.335 % and an R2 of 0.9755, while the LSTM model achieved a MAPE of 9.984 % and an R2 of 0.9898. These results indicate the goodness of fit and are comparable to results from similar models in the literature (MAPE = 9.1 to 15 %). The methodology may be applied to different features to help establish the relationship between health indicators and capacity fade and can be used in applications that require early capacity prediction such as in space technologies where lifetime and capacity are crucial in ensuring success and safety. This successful estimation highlights the promise and potential of accurately predicting Li-ion battery capacity degradation using a single-feature approach.


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  • 106. Cost Analysis of a Sodium- ion Battery Pack for Energy and Power Applications using Combined Multi-physics and Techno-Economic Modeling, Chemical Engineering Transactions, Volume 94 (2022), Pages139-144, M. R. Domalanta, M.T. Castro, J. D. Ocon , J. A. D. del Rosario

    Abstract:

    The renewable energy transition requires energy storage technologies for grid-balancing and transportation. Lithium-ion batteries have been widely adopted for these applications, but supply risks due to geopolitical tensions have motivated the search for alternative chemistries less dependent on critical raw materials. Sodium-ion batteries have garnered notable attention as promising post-lithium chemistry due to the relative abundance of sodium and its similar manufacturing process to lithium-ion batteries. This work estimated the cost of producing sodium-ion battery packs from cells optimized via multiphysics modeling for energy or power-based applications. This study replicated a multiphysics model of a pouch format sodium-ion battery from literature in COMSOL Multiphysics®. This model determined the optimal active material used in batteries under 0.1C to 10C discharge rates to maximize the energy density. The cost of battery packs produced from the optimized cells was then determined using the Battery Performance and Cost (BatPaC) model of Argonne National Laboratory, which considers material and manufacturing costs. The optimization results reveal that energy cells have thicker electrodes and lower porosities (217 µm thick 0.11 porosity anode, 237 µm thick 0.10 porosity cathode for 0.1C), which maximize the amount of active material per unit mass. Power cells have thinner electrodes and larger porosities to minimize electrical resistance (58 µm thick 0.32 porosity anode, 63 µm thick 0.31 porosity cathode for 10C), reducing energy losses at high currents. Moreover, we compared the calculated production cost for energy and power applications for sodium-ion batteries, highlighting essential parameters affecting the price. The model observed a 26.42% increase in total material cost per kWh when transitioning from energy to power cells. The model may also be refined by considering sodium-ion batteries with different cathode and anode chemistries in different formats and their applications in different use cases.


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  • 105. An Electrochemical- Thermal Multiphysics Model for Lithium Polymer Battery, Chemical Engineering Transactions, Volume 94 (2022), Pages 145-150, M. R. Domalanta, M.T. Castro, J. D. Ocon , J. A. D. del Rosario

    Abstract:

    With the rising energy demand, safe and efficient energy storage technologies have been increasing in importance. Lithium Polymer (LiPo) batteries use a gel polymer to act as both separator and electrolyte, which is thermally and electrochemically more stable and safer than conventional liquid electrolytes. Besides exploring new materials, engineering a reliable multiphysics model is vital to exploiting and optimizing existing LiPo batteries' potential. This study developed a multiphysics model for a Lithium Cobalt Oxide (LCO)-graphite- Poly(vinylidene fluoride - hexafluoropropylene) (PVdF-HFP) pouch-type mobile phone LiPo. A pseudo-2-dimensional electrochemical model was coupled with a 3D thermal model using COMSOL Multiphysics® to determine the working voltage and temperature during discharge and was compared with experimental data from a commercial LiPo battery and evaluated using Root Mean Square Error (RMSE). The simulated discharge curve agrees remarkably well with the experimental results. The simulated temperature profile has shown appreciable discrepancies primarily due to the generated entropic change coefficient values that significantly affect the battery's heat generation. Overall, the models can be employed as a design tool to evaluate the component design and estimate the system performance of LiPo batteries for commercial applications. Furthermore, researchers can expand the study to investigate more advanced electrochemical phenomena and performances of state-of-the-art lithium and post-lithium chemistries.


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  • 104. Evaluating Different Commercial Forms of Carbon as Cathodes in Air-Cathode Assisted Iron Electrocoagulation (ACAIE) of Groundwater for Arsenic Removal, Chemical Engineering Transactions, Volume 94 (2022), Pages 271-276, J. D. Pascasio, K. A. Gandionco, S. R. Bandaru, A. J. Gadgil, A. C. Resurreccion, J. D. Ocon

    Abstract:

    Many people around the world rely on groundwater for drinking and sanitation, however, they are exposed to various health risks from the naturally occurring groundwater arsenic (As). Air-cathode Assisted Iron Electrocoagulation (ACAIE) using Carbon Black Pearls 2000® cathode was previously shown catalyse the removal of groundwater As by producing hydrogen peroxide (H2O2). This work explored Vulcan® XC-72, and Printex® L6 Carbon as alternative cathodes for iron electrocoagulation which are more selective towards the 2-electron oxygen reduction reaction into H2O2 compared to Carbon Black Pearls®. The cathodes were tested in an ACAIE set-up to treat synthetic groundwater spiked with 1,500 µg/L of As at different charge dosage rates (CDR) from 1.56 C/L-min to 100 C/L-min with a total charge dosage of 600 C/L for all set-ups. Although the electrocoagulation energies among the cathodes were similar, the use of Printex® cathode for ACAIE remediated the groundwater for all CDR with final As levels below 10 µg/L. This is in contrast with the less selective Carbon Black Pearls® at low CDR, and the less active Vulcan® Carbon at high CDR where the treated groundwater may still have As levels above 10 µg/L. Future research would explore modifications in the carbon materials and reactor configuration to further optimize ACAIE in removing groundwater As.


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  • 103. A Machine Learning- accelerated Density Functional Theory (ML-DFT) Approach for Predicting Atomic Adsorption Energies on Monometallic Transition Metal Surfaces for Electrocatalyst Screening, Chemical Engineering Transactions, Volume 94 (2022), Pages 733-738, J. G. Tomacruz, M. F. Remolona, A. A. B. Padama, J. D. Ocon

    Abstract:

    The global mission to reduce fossil fuel consumption has led to the escalating demand for electrochemical energy storage (EES) devices such as fuel cells and batteries. Computational techniques like Density Functional Theory (DFT) have recently been coupled with Machine Learning (ML) for high-throughput material screening and discovery. Transition metal surfaces are popular electrocatalyst candidates, but predictive ML regression models have only been applied to select metals such as Pt and Cu. Additionally, characterizing the contributions of each feature is challenging, especially on black-box models. In this work, regression models were trained to predict the adsorption energies of carbon, hydrogen, and oxygen on 27 fcc (111) monometallic surfaces and applied model-agnostic interpretation methods to evaluate feature importance. Over 200 adsorption energies on transition metal surfaces were collected from Catalysis-hub.org, a surface reaction database. A dataset was constructed for each adsorbate, and was composed of ten surface atomic, surface electronic, and adsorbate properties collected from online databases and DFT calculations on adsorbate-free surfaces. Then, the fine-tuned random forest regression, Gaussian process regression, and artificial neural network models predicted atomic adsorption energies while permutation feature importance calculated feature contributions. All ML model accuracies were found to be competitive with those from literature, with Gaussian process regression reporting the lowest errors of the three models. Coordination number was also found to have the largest contributions for all models. ML-DFT methodologies such as this can be expanded to accommodate alloys and more adsorbates for a wider screening of potential EES materials.


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  • 102. Multiphysics Modeling of a Low Voltage Acid- Alkaline Electrolyzer, Chemical Engineering Transactions, Volume 9 (2022), Pages 247-252, M. T. Castro, P.-Y. A. Chuang, J. D. Ocon

    Abstract:

    Acid-alkaline electrolyzers utilize an acidic catholyte and alkaline anolyte, which lower the thermodynamic voltage requirement for water splitting. Experiments have demonstrated the feasibility of acid-alkaline electrolyzers with proton exchange membranes, but a mathematical model has yet to be developed to understand their operation. This work developed a multiphysics model of a batch acid-alkaline electrolyzer with a H2SO4 catholyte, a NaOH anolyte, and a proton exchange membrane. The model was formulated in COMSOL Multiphysics® and validated using experimental current vs. voltage data in literature. The electrolyzer’s reactions and ion transport were analyzed based on the electrolyte potential, concentration profiles, and ion fluxes calculated by the model. The charge imbalance due to the consumption of H+ and OH- in the catholyte and anolyte, respectively, is addressed by Na+ transport from the anolyte to the catholyte. This contradicts the prevailing hypothesis that electroneutrality in a proton exchange membrane acid-alkaline electrolyzers is preserved by the Second Wien Effect, or water splitting in high electric fields. H+ is transported from the catholyte to the anolyte, which results in undesired acid-base neutralization. This is minimized by increasing the applied voltage, which shows a tradeoff between power and reactant consumption. Na+-selective membranes also hinder the neutralization reaction, but their realization is challenging due to the smaller Stokes radius of H+. The proposed model can be used to optimize the parameters of a batch electrolyzer and aid in the design of a continuous electrolyzer stack.


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  • 101. Energy Density Optimization in a Primary Alkaline Battery using Multiphysics Modeling, Chemical Engineering Transactions, Volume 94 (2022), Pages 301-306, M. T. Castro, J. A. D. del Rosario, J. D. Ocon

    Abstract:

    Primary alkaline batteries have been widely used in portable electronics due to their low cost and safety. The consumption and disposal of these batteries has prompted notable research on their recycling. Another approach to reducing alkaline battery disposal is to extend their lifetime by increasing their energy density. In this work, the energy density of an AA primary alkaline battery was maximized by determining the optimum amount of electrode materials through multiphysics modeling. An electrochemical model of the alkaline battery is developed in COMSOL Multiphysics® and validated with discharge curves (i.e., voltage vs. time) obtained under constant resistance loads. The electrode thicknesses are then optimized to maximize the energy density of the battery while maintaining its exterior dimensions. The sensitivity of the energy density with respect to the electrode porosities and interfacial areas is then analyzed. The electrochemical model was able to replicate the discharge curves obtained under a 250 mA constant current discharge. The energy density is maximized by decreasing the thickness of the zinc anode. However, this results in anode dissolution near the current collectors and could compromise the electrical continuity in the battery. Increasing the anode thickness prevents dissolution at the current collectors but increases unused mass in the battery. The results of this study can be used to develop longer-lasting alkaline batteries. Furthermore, the model can be improved by considering thermal effects or modified to aid the development of rechargeable alkaline batteries.


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  • 100. Multiphysics Modeling of High Temperature Planar and Tubular Sodium-Sulfur Batteries, Chemical Engineering Transactions, Volume 94 (2022), Pages 1093-1098, H. Antonano, J. M. Panganiban, J. V. Yu, M. T. Castro, J. D. Ocon

    Abstract:

    Sodium-sulfur (NaS) batteries are a promising energy storage technology that features high energy density, high cycle life, and no self-discharge. One of the cell design considerations that can affect the performance and construction of NaS batteries is cell geometry. While the planar geometry has advantages in power output, cell packing, ease of assembly, and thermal management, it has thermo-mechanical issues in sealing, which makes it less commercialized than the tubular geometry. In this work, the first multiphysics model of a NaS cell with a planar geometry was developed by extending an existing multiphysics model for a NaS cell with a tubular geometry. A previously developed multiphysics model for the tubular NaS cell was first adapted into COMSOL Multiphysics®. The model’s results were then validated against experimental discharge profiles and surface temperatures. After this, a planar NaS cell was simulated using the dimensions of an experimental planar cell, with the mass, heat, and charge transfer equations and parameters previously used in the tubular multiphysics model. The results from the planar model were then validated through comparison to experimental discharge profiles for a planar cell. The developed model can be used in future research and development of NaS batteries by comparing performance parameters of the planar geometry such as discharge profiles, energy densities, and temperatures with a multiphysics model of the tubular NaS battery.


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  • 99. Data on the techno-economic and financial analyses of hybrid renewable energy systems in 634 Philippine off-grid islands , Data in Brief, Volume 44 (2022), Page 108485 (IF = 1.4), M. T. Castro, J. D. A. Pascasio, J. D. Ocon

    Abstract:

    This data article contains the location, energy consumption, renewable energy potential, techno-economics, and profitability of hybrid renewable energy systems (HRES) in 634 Philippine off-grid islands. The HRES under consideration consists of solar photovoltaics, wind turbines, lithium-ion batteries, and diesel generators. The islands were identified from Google Maps™, Bing Maps™, and the study of Meschede and Ocon et al. (2019) [1]. The peak loads of these islands were acquired from National Power Corporation – Small Power Utilities Group (NPC-SPUG), if available, or estimated from the island population otherwise. Hourly-resolution load profiles were synthesized using the normalized profiles reported by Bertheau and Blechinger (2018) [2]. Existing diesel generators in the islands were compiled from reports by NPC-SPUG, while monthly average global horizontal irradiance and wind speeds were taken from the Phil-LIDAR 2 database. Islands that are electrically interconnected were lumped into one microgrid, so the 634 islands were grouped into 616 microgrids. The HRES were optimized using Island System LCOEmin Algorithm (ISLA), our in-house energy systems modeling tool, which sized the energy components to minimize the net present cost. The component sizes and corresponding techno-economic metrics of the optimized HRES in each microgrid are included in the dataset. In addition, the net present value, internal rate of return, payback period, and subsidy requirements of the microgrid are reported at five different electricity rates. This data is valuable for researchers, policymakers, and stakeholders who are working to provide sustainable energy access to off-grid communities. A comprehensive analysis of the data can be found in our article “Techno-economic and Financial Analyses of Hybrid Renewable Energy System Microgrids in 634 Philippine Off-grid Islands: Policy Implications on Public Subsidies and Private Investments” [3].


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  • 98. A Multi-Physics Model of a Proton Exchange Membrane Acid-Alkaline Electrolyzer , Energy Conversion & Management , Volume 267 (2022), Page 115829 (IF = 9.7), M. T. Castro, J. M. Mora, N. Kakati, P.-Y. A. Chuang, J. D. Ocon

    Abstract:

    The high energy requirement of hydrogen generation via water splitting has motivated the development of acid-alkaline electrolyzers, which have a lower thermodynamic voltage requirement than conventional electrolyzers. Proton exchange membrane acid-alkaline electrolyzers have been reported in literature, but its reactions and ion transport mechanisms are still unknown. In this work, we developed a multiphysics model of a proton exchange membrane acid-alkaline electrolyzer to elucidate the mechanism of operation. The model showed that Na+ crossover from the anolyte to the catholyte is the primary mechanism for retaining electroneutrality, in contrast with the prevailing hypothesis that H+ is the primary charge carrier. Moreover, we found that H+ is transported from the catholyte to the anolyte, which is counterproductive towards maintaining electroneutrality and results in the undesired acid-base neutralization reaction. Increasing the applied current reduces H+ crossover, thereby demonstrating a tradeoff between power consumption and side reaction minimization. As the cell is operated, the catholyte composition changes from H2SO4 to a mixture of NaHSO4 and Na2SO4, which in turn reduces the overall efficiency. Therefore, in addition to water, proton exchange membrane acid-alkaline electrolyzers will require constant feeding of fresh electrolyte to maintain its performance, and this poses a barrier towards its practical use.


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  • 97. Development of Chemistry-Specific Battery Energy Storage System Models using Combined Multiphysics and Reduced Order Modeling , Journal of Energy Storage, Volume 54 (2022), Page 105305 (IF = 8.9), M. T. Castro, J. D. Ocon

    Abstract:

    Batteries are pivotal towards the decarbonization of energy systems as they address the intermittent nature of renewable energy technologies. The techno-economic feasibility of deploying batteries in microgrids is often analyzed using energy systems modeling tools. These often utilize the idealized battery model, which is simpler but neglects electrochemical phenomena. Reduced-order models, which are derived from continuum-scale physics-based models, have improved accuracy but are yet to be applied in the cost optimization of microgrids. In this work, we proposed a novel methodology for generating reduced-order models of lithium-ion lithium iron phosphate, nickel cobalt aluminum oxide, and nickel manganese cobalt chemistries for use in the techno-economic optimization of microgrids. We simulated previously reported multiphysics models of Li-ion batteries in COMSOL Multiphysics® and reduced them into equivalent circuit models. These were implemented in Island Systems LCOEmin Algorithm (ISLA), our in-house energy systems modeling and optimization tool. We then simulated and optimized renewable energy systems in ISLA to determine the discrepancy between the reduced-order equivalent circuit models versus the idealized battery model. The results revealed that the idealized battery model can miscalculate the SOC by >5 % SOC due to the assumption of constant voltages, while the optimum sizes differed by >5 % when there are sharp peaks in demand or if non-renewable sources are competitive. The idealized battery model is therefore not a valid approximation under these scenarios. This work demonstrated a novel multi-scale framework from the continuum-scale multiphysics modeling of batteries to macroscale energy systems optimization.


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  • 96. Spatio- Temporal Solar-Wind Complementarity Assessment in the Province of Kalinga-Apayao, Philippines using Canonical Correlation Analysis , Sustainability , Volume 14 (2022), Page 3253 (IF = 3.2), K. E. Pilario, J. A. Ibañez, X. N. Penisa, J. B. Obra, C. M. Odulio, J. D. Ocon

    Abstract:

    Increased utilization of renewable energy (RE) resources is critical in achieving key climate goals by 2050. The intermittent nature of RE, especially solar and wind, however, poses reliability concerns to the utility grid. One way to address this problem is to harmonize the RE resources using spatio-temporal complementarity analysis. Two RE resources are said to be complementary if the lack of one is balanced by the abundance of the other, and vice versa. In this work, solar–wind complementarity was analyzed across the provinces of Kalinga and Apayao, Philippines, which are potential locations for harvesting RE as suggested by the Philippine Department of Energy. Global horizontal irradiance (GHI) and wind speed data sets were obtained from the NASA POWER database and then studied using canonical correlation analysis (CCA), a multivariate statistical technique that finds maximum correlations between time series data. We modified the standard CCA to identify pairs of locations within the region of study with the highest solar–wind complementarity. Results show that the two RE resources exhibit balancing in the resulting locations. By identifying these locations, solar and wind resources in the Philippine islands can be integrated optimally and sustainably, leading to a more stable power and increased utility grid reliability.


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  • 95. Techno-Economic and Financial Analyses of Hybrid Renewable Energy System Microgrids in 634 Philippine Off- Grid Islands: Policy Implications on Public Subsidies and Private Investments , Energy, Volume 25 (2022), Page 124599 (IF = 7.1), M. T. Castro, J. D. Pascasio, L. Delina, P. H. Balite, J. D. Ocon

    Abstract:

    In line with one of the objectives of Sustainable Development Goal 7 to close energy poverty, the techno-economic feasibility of deploying hybrid renewable energy systems (HRES) in Philippine off-grid islands has been extensively studied to address reliance on diesel generators in these areas. Several works have analyzed HRES deployment at a nationwide level in terms of levelized costs, but the financial sustainability in terms of profits and subsidies of such schemes is largely unexplored. In this work, we analyzed the potential profits and subsidy requirements of HRES in 634 Philippine off-grid islands. First, we developed a database of inhabited off-grid islands containing their load profiles and solar and wind resources. A techno-economic analysis was then performed by sizing HRES with solar photovoltaics, wind turbines, lithium-ion batteries, and diesel generators in each island to minimize net present costs. A profitability analysis was then carried out by calculating profitability metrics, such as the net present value, internal rate of return, and payback period at various tariff rates. The techno-economic analysis revealed that larger islands had a higher proportion of RE technologies, which decreased long-term costs but increased capital costs. Meanwhile, the profitability analysis showed that HRES projects in larger islands become profitable at lower electricity rates but require larger subsidies to maintain when they are unprofitable. In this regard, we argue that government subsidies should be targeted towards smaller islands, while the private sector should be enticed to invest in larger islands. This work demonstrates that quantifying subsidies and profits, and not just the costs, of HRES can yield better insights on the economics of HRES deployment. Moreover, this work highlights the importance of government subsidies and private sector participation for achieving 100% energy access in the Philippines.


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  • 94. A Stochastic Techno-economic Comparison of Generation-integrated Flywheel, Lithium-ion Battery, and Lead-Acid Battery Energy Storage Technologies for Isolated Microgrid Applications , Journal of Energy Storage , Volume 52 (2022), Page 104681 (IF = 8.9), E. Esparcia Jr., M. T. Castro, C. M. Odulio, J. D. Ocon

    Abstract:

    Different energy storage technologies can be potentially integrated into microgrids to support variable renewable energy generators. Long-duration flywheel energy storage is considered a new contender in the energy storage market. This energy storage technology has been previously evaluated in a techno-economic study, but it did not consider uncertainties in the model input data. In this work, stochastic techno-economic comparison is performed using microgrid modeling and Monte-Carlo methods to compare long-duration flywheels, lithium-ion batteries, and lead-acid batteries for isolated microgrid and industrial facility. Results generally show a relatively high probability for long-duration flywheels to yield a lower leveized cost of storage (LCOS) and levelized cost of electricity (LCOE) compared to lithium-ion batteries in 2020. Higher probability can be attained when the overnight component cost of long-duration flywheels is reduced or when overnight diesel prices are high. However, the chances of long-duration flywheels yielding lower LCOS and LCOE rapidly decreases as time progresses. Long-duration flywheel manufacturers and promoters must find ways to accelerate price reduction by 2.5× from baseline to secure a better chance of yielding a lower LCOS in 2050.


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  • 93. Unraveling the Roles of H+, Na+, and K+ Cations over the Self-Photorechargeability of a Pt-Mediated MoO 3 Photoanode-Driven Photoelectrochemical System: Experimental and DFT Study, Journal of Environmental Chemical Engineering, Volume 10 (2022), Page 107252 (IF = 5.9), R. Chot, A.C. Serraon, C. M. Nan, J. D. Ocon

    Abstract:

    Renewable energy systems are a critical game changer of the 21st century, where various fundamental and applied researches are realised for advancing the practicality of energy provision at a multitude of scales. This study aimed to unravel the roles of H+, Na+ and K+ cations over the self-photorechargeability of a novel Pt/MoO3 photoanode-driven photoelectrochemical (PEC) system with dual-functionalities of solar photon-to-electron conversion and storage of electrons. FE-SEM analysis showed that the Pt/MoO3 photoanode consists of a 3D plate-like surface structure with favourable void spaces and internal channels for promoting the photo-intercalation and de-intercalation reactions. HR-TEM analysis validated the formation of interfacial heterojunction between Pt co-catalyst and MoO3 in Pt/MoO3 photoanode for improving the overall work function as well as synergising the self-photorechargeability properties. Further current and charge density profiling for the Pt/MoO3-driven self photorechargeable system over three consecutive charging-discharging cycles demonstrated a slow charge decay kinetics in H+ electrolyte resulted in a relatively high charge density of 5.53 mC/cm2. EIS Nyquist analysis depicted a smaller arc radius in the Nyquist plot of the Pt/MoO3-driven self photorechargeable system which indicates a lower charge transfer impedance and thus, facilitating a better separation efficiency of electron-hole pairs than bare MoO3. From the systematic study on H+, Na+ and K+ cations with varying concentrations over the self-photorechargeability of Pt/MoO3-driven system, it was revealed that the K+ electrolyte at a low concentration of 0.01 M resulted in the highest charge density of 22.89 mC/cm2. Other H+ and Na+ cations and concentrations are unfavourable due to the potentiality in inducing structural distortment as well unparallel rates of charging and discharging in the Pt/MoO3-driven system. Finally, DFT was simulated and the calculated binding energies (Eads) between the studied cations with the Pt/MoO3 crystalline framework validated the experimental finding.


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  • 92. Controlled Synthesis of High Performance Silver/Silver Orthophosphate (Ag/Ag 3 PO 4 ) Interfaced Photoanode with Porous Tetrahedrons for Photoelectrochemical Water Splitting, Journal of Environmental Chemical Engineering , Volume 10 (2022), Page 107161 (IF = 5.9), C. C. Ng, M. N. Chong, I. M. S. K. Ilamkoon, J. D. Ocon

    Abstract:

    In this study, a novel interfaced photoanode of silver/silver orthophosphate (Ag/Ag3PO4) was synthesised via the controlled oxidation of Ag foil which resulted in a top porous layer of {111} facets-bounded Ag3PO4 tetrahedrons layer. This was achieved through a systematic understanding and optimisation of the critical synthesis parameters, including: concentration ratio of polyvinylpyrrolidone (PVP) used as the capping agent to precursor (C/P), volume ratio of hydrogen peroxide (H2O2) to deionised water (H2O) (H2O2:H2O) and reaction time. It was revealed that the best-performing Ag/Ag3PO4 interfaced photoanode can be synthesised at the C/P ratio of 4, H2O2:H2O ratio of 3:5 and reaction time of 20 h. This is owing to the synergistic reaction of Ag foil, NaH2PO4 and H2O2 under the assistance of PVP, which leads to the formation of the porous layer of highly reactive {111} facets-bounded Ag3PO4 tetrahedron structures. The optimised Ag/Ag3PO4 interfaced photoanode achieved an unprecedentedly high photocurrent density of 4.19 mA/cm2 at 1 V vs Ag/AgCl with an accompanying measured H2 evolution rate of 49.08 µmol/h cm2. Additionally, the applied bias photon-to-current efficiency (ABPE) and incident photon-to-current efficiency (IPCE) for the Ag/Ag3PO4 interfaced photoanode were recorded at 0.55% (0.84 V vs Ag/AgCl) and 56.5% (1 V vs Ag/AgCl, 410 nm), respectively.


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2021

  • 91. Comparative assessment of solar photovoltaic-wind hybrid energy systems: A case for Philippine off-grid islands, Renewable Energy, Elsevier, Volume 179, Pages 1589-1607, J.D.A. Pascasio, E.A. Esparcia, M.T. Castro, J.D. Ocon

    Abstract:

    Geographic isolation limits energy access in remote Philippine islands. Among the few islands electrified, most are powered by diesel, a costly and unsustainable electricity source. Efforts on energy access should therefore consider affordable and sustainable renewable energy (RE) technologies. In this study, we simulated solar photovoltaic (PV) and wind power integration in 147 diesel-powered Philippine off-grid areas. Different configurations of solar PV, wind turbines, lithium-ion batteries, and diesel generators were evaluated based on levelized electricity costs and RE shares. The simulations show that solar PV should be utilized in all areas considered and wind power in 132 areas to guarantee reliable and continuous energy access with minimal costs. The hybrid energy systems have an average electricity cost of USD 0.227/kWh, an average RE share of 58.58 %, and a total annual savings of 108 million USD. The sensitivity analysis also shows that dependence on solar and wind power in Philippine off-grid islands is robust against uncertainties in component costs and electricity demand. With the promising off-grid solar PV and wind power potential in the country, policies that support RE-based hybrid grids should be implemented to address the trilemma of energy security, equity, and sustainability.


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  • 90. Can Off-grid Islands Powered by Renewable Energy Microgrids be Operated Sustainably without Subsidies? A Techno-economic Case Study in the Philippines, Chemical Engineering Transactions, Volume 88 (2021), M. T. Castro, J. D. Ocon

    Abstract:

    The Philippines is home to thousands of off grid islands that are too distant from the mainland and consequently expensive to connect to the main grid. These islands are typically powered by diesel generators, which will require more subsidies as fuel costs continue to increase. Hybrid renewable energy systems (HRES) are an alternative energy source with lower reliance on fuel and generation costs. In this work, the financial sustainability of deploying HRES in Philippine off grid islands of various sizes was evaluated. Patongong Island, Lapinigan Island, Balabac Island, and Sibuyan Island were selected as case studies as their peak electrical demand varies from 4.4 kW in Patongong Island to 3.2 MW in Sibuyan Island, representing a large fraction of off-grid islands in the country. HRES consisting of solar photovoltaics, wind turbines, lithium ion batteries, and diesel generators in these islands were modeled in Island Systems LCOEmin Algorithm (ISLA), an in house energy systems modeling tool. Profitability metrics, such as the net present value, internal rate of return (IRR), and payback period (PBP), were then calculated at varying electricity prices. The large Sibuyan island was already profitable at 0.2 USD/kWh, comparable to the mainland rate, which suggests that subsidies in large islands can be removed. The low 11 % IRR and 13 year PBP may not be attractive to private investors, but this may be alleviated by raising electricity prices. Other islands, however, will still require subsidies as the small Patongong Island becomes profitable only at 1.5 times the mainland rate. This work encourages private sector participation by providing financial insights absent in many techno economic studies. Moreover, this study enlightens the public sector about the necessity of subsidies for providing energy access in small off grid islands.


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  • 89. Determining the Structure-Antibacterial Properties Relationship and Bacterial Inactivation Kinetics in Different Morphological-controlled ZnO Nanoarchitectures for Wastewater Applications, Journal of Environmental Chemical Engineering , Volume 9 (2021), Page 106646 (IF = 5.9), S. Chang, M. N. Chong, J. D. Ocon

    Abstract: 

    This study aimed to systematically evaluate and determine the specific roles of reactive oxygen species (ROS) and Zn2+ ions in governing the antibacterial properties of different ZnO nanoarchitectures. This could differ greatly on model bacteria under different irradiation conditions and affects on the design and scale-up of ZnO-based photocatalytic system for wastewater applications. Various ZnO nanostructures were synthesized, characterised and systematically evaluated for their antibacterial properties on both Gram-positive and Gram-negative bacteria under dark, UV-light, and simulated solar irradiation conditions. Results showed that the 1D-ZnO nanorods possessed the highest photo-deactivation ability with a 3.5-log reduction for B. subtilis and a 4.2-log reduction for E. coli under UV light conditions. This is precisely linked to the 1D rod-like ZnO nanostructures with a higher exposed polar surface that favours the dissolution kinetics of Zn2+ ions. Besides, the surface oxygen vacancies were found to be strongly correlated to the intracellular ROS concentration that imparts bactericidal effect at different extents depending on the ZnO nanostructures used. The photo-deactivation kinetics were found to be best-fitted using the empirical Hom model, as it could represent the non-linear bacterial inactivation kinetics profile with a prolonged tailing characteristic. Finally, the Friedman non-parametric test showed that all experimental datasets for B. subtilis and E. coli surviving cases were significantly different (p-value < 0.05). The post-hoc approach indicated that the Zn2+ ions dissolution was the fundamental factor in dictating the antibacterial properties in different ZnO nanostructures.


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  • 88. Techno-economics of Hybrid System Electrification of Roll-on Roll-off Vessels in the Philippines , Chemical Engineering Transactions , Volume 88 (2021), Pages 559-564, J.D. Somera, S. P. Parado, M. T. Castro, J. D. Ocon

    Abstract:

    The shipping industry is vital for archipelagic countries like the Philippines as they allow transport between islands, but it is a notable contributor of greenhouse gases. In this work, a framework for analyzing the techno-economic potential of hybridizing a sea vessel with solar photovoltaics, lithium-ion batteries, and diesel generators was presented. The roll on/roll off vessel Filipinas Ozamis was considered as a case study due to its commercial use. A 3D model of the roll-on/roll-off vessel was used to measure the ship’s dimensions. The load profile of the vessel was estimated from the ship’s dimensions, operational profile, route, and speed according to the MarineTraffic AIS database. Afterwards, diesel-only and hybrid energy systems were sized in HOMER Pro to power the electrified ship while minimizing its costs and noting the available space on the sea vessel. Lastly, the profitability of the hybrid energy system was determined. The hybrid system was marked with increased capital costs, but the fuel consumption and CO2 emissions were 18.50 % and 27.90 % lower than those of the diesel-only system, respectively. The hybrid system also had lower generation costs and 23.64 % higher net present value than the diesel-only system. This framework can be used in the absence of measured load profiles and can be extended to other sea vessels to conduct a national techno-economic assessment of hybridizing the country’s maritime industry.


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  • 87. Reduced-Order Modeling of a Lithium-ion Lithium Iron Phosphate Battery for Energy Systems Modelling , Chemical Engineering Transaction, Volume 88 (2021), Pages 223-228, M.T. Castro, J. D. Ocon

    Abstract:

    Battery energy storage systems are essential for stabilizing the intermittent power generation of renewable energy (RE) technologies. Their integration into RE systems is typically studied using energy systems modeling software that utilize either idealized models or complex models that require experimental data. Reduced order modeling offers minimal experimental costs through the use of a multiphysics model in lieu of experimental battery data. In this work, a previously reported multiphysics model of a lithium ion lithium iron phosphate (Li ion LFP) battery was simulated in COMSOL Multiphysics® and reduced into an equivalent circuit model (ECM). The reduced order ECM was then implemented as a battery systems model in an energy systems modeling tool to perform RE-based hybridization studies. Techno economic case studies were conducted on RE based systems powering a household and an off grid island to validate the reduced order ECM with the idealized battery model with HOMER Pro. Optimal component sizes computed using the two software generally showed good agreement and deviations were attributed to electrical losses. The state of charge (SOC) vs. time graphs generated by the two software had an average root mean square error of 0.00173 SOC units across the different case studies. Discrepancies were observed during rapid charging or high SOC values, which were characteristic of the reduced order ECM. This model reduction framework can be applied to other energy storage and conversion technologies, such as other Li ion chemistries, fuel cells, and supercapacitors, to generate chemistry specific models for energy systems research.


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  • 86. Multiphysics Modeling of Lithium-ion, Lead-acid, and Vanadium Redox Flow Batteries , Journal of Energy Storage, Volume 42 ( 2021 ), Page 102982 (IF = 6.5), M.T. Castro, J. A. D. del Rosario, C. M. Nan, P.-Y. A. Chuang, J. Lee, J. D. Ocon

    Abstract: 

    The increasing demand for batteries’ application in grid-balancing, electric vehicles, and portable electronics has prompted research efforts on improving their performance and safety features. The improvement of batteries involves the comparison of multiple battery designs and the determination of electrochemical and thermal property distributions at the continuum scale. This is achieved by using multiphysics modeling for investigatory battery research, as conventional experimental approaches would be costly and impractical. The fundamental electrochemical models for these batteries have been established, hence, new models are being developed for specific applications, such as thermal runaway and battery degradation in lithium-ion batteries, gas evolution in lead-acid batteries, and vanadium crossover in vanadium redox flow batteries. The inclusion of new concepts in multiphysics modeling, however, necessitates the consideration of phenomena beyond the continuum scale. This work presents a comprehensive review on the multiphysics models of lithium-ion, lead-acid, and vanadium redox flow batteries. The electrochemical models of these chemistries are discussed along with their physical interpretations and common applications. Modifications of these multiphysics models for adaptation and matching to end applications are outlined. Lastly, we comment on the direction of future work with regards to the interaction of multiphysics modeling with modeling techniques in other length and time scales. Molecular-scale models such as density functional theory and kinetic Monte Carlo can be used to create new multiphysics models and predict transport property correlations from first principles. Nanostructures and pore-level geometries can be optimized and integrated into continuum-scale models. The reduction of multiphysics models via machine learning, mathematical simplification, or regression enables their application in battery management systems and energy systems modeling.


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  • 85. A Comparative Assessment of the Solar PV-Wind-Hybrid Energy Systems in Philippine Off-Grid Islands, Renewable Energy, Volume 179 (2021), Pages 1589-1607 (IF = 8.001), J.D. A. Pascasio, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    Geographic isolation limits energy access in remote Philippine islands. Among the few islands electrified, most are powered by diesel, a costly and unsustainable electricity source. Efforts on energy access should therefore consider affordable and sustainable renewable energy (RE) technologies. In this study, we simulated solar photovoltaic (PV) and wind power integration in 147 diesel-powered Philippine off-grid areas. Different configurations of solar PV, wind turbines, lithium-ion batteries, and diesel generators were evaluated based on levelized electricity costs and RE shares. The simulations show that solar PV should be utilized in all areas considered and wind power in 132 areas to guarantee reliable and continuous energy access with minimal costs. The hybrid energy systems have an average electricity cost of USD 0.227/kWh, an average RE share of 58.58 %, and a total annual savings of 108 million USD. The sensitivity analysis also shows that dependence on solar and wind power in Philippine off-grid islands is robust against uncertainties in component costs and electricity demand. With the promising off-grid solar PV and wind power potential in the country, policies that support RE-based hybrid grids should be implemented to address the trilemma of energy security, equity, and sustainability.


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  • 84. Assessing Demand Compliance and Reliability in the Philippine Off-Grid Islands with Model Predictive Control Coordination, Renewable Energy, Volume 179 (2021), Pages 1271-1290 (IF = 8.001), M. M. Morato, E. A. Esparcia Jr., J. Vergara-Dietricj, J. D. Ocon, J. E. Normey-Rico

    Abstract:

    This paper considers off-grid microgrids (MGs) from the Philippine archipelago and analyses their energy generation in differents aspects. Seven different energy clusters are used, representing realistic configurations and renewable energy shares. A Robust Model Predictive Control (MPC) framework is used for the energy management and coordination task of these island MGs. The MPC is based on a min./max. optimization procedure, which takes into account the whole uncertainty set. The reliability of the MG operations are analysed with respect to the different clusters; this evaluation is conducted using µ-analysis, performed with respect to the baseline model and the uncertainty set. The demand-side compliance of the MG is also investigated, with respect to stochastic behaviours of the demands and of the renewable sources (wind and solar). Numerical simulation results are presented in order to demonstrate that reliable power outlets are produced despite variation in renewables and of the demands. This paper offers a thorough analysis of simple energy system coordinated via MPC, showing how this method can indeed be used for renewable MG management, offering robustness and ensuring reliability.


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  • 83. Unraveling the Roles of Alkali-Metal Cations for the Enhanced Oxygen Evolution Reaction in Alkaline Media, Applied Catalysis B: Environmental, Volume 288 (2021) Page 119981 (IF = 16.68), J. A. D. del Rosario, G. Li, M. F. Labata, J. D. Ocon, P.-Y. A. Chuang

    Abstract:

    The electrical double layer (EDL) structure and interfacial interactions are studied to illustrate the influence of alkali metal (AM) cations on alkaline oxygen evolution reaction (OER). The electrochemical measurements show that the OER activity both on IrOx and NiCo2O3 increases in the sequence of Li+ < Na+ < Cs+ < K+ mainly due to the various interaction strength of specifically adsorbed OHad intermediates and non-specifically adsorbed AM+ad in the EDL. In particular, K+ breaks the limitation of the adsorbate’s linear scaling relation and enables a lattice-oxygen-mediated mechanism, resulting in activity enhancement. Further, based on our investigation, new strategies are proposed to synthesize Ir-Co oxide with modifications of various AM elements, such as Li, Na and K. The K-assisted Ir0.6Co0.4 amorphous oxide exhibits outstanding OER performance, i.e. 290 mV overpotential (without ohmic correction) at 10 mA cm2, and 36.9 mV dec-1 kinetic Tafel slope. The oxide modification with potassium plays a crucial role for its superior performance, which highlights the importance of the interfacial engineering to facilitate the electron transfer reactions.


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  • 82. Insights on Platinum-Carbon Catalyst Degradation Mechanism for Oxygen Reduction Reaction in Acidic and Alkaline Media, Journal of Power Sources, Volume 487 (2021) Page 229356 (IF = 8.23), M. F. Labata, G. Lu, J. D. Ocon, P.-Y.-A. Chuang

    Abstract:

    Developing durable electrocatalyst for oxygen reduction reaction (ORR) is essential for fuel cell commercialization. Herein, we perform a study of platinum-carbon (Pt/C) degradation mechanisms using potential cycling of accelerated durability testing protocols in acidic and alkaline media. Physicochemical results indicate that carbon surface oxides are formed after high-potential cycling in acid causing an increase in the double-layer capacitance and severe ORR activity loss due to Pt poisoning. Whereas, low-potential cycling in acid shows less ORR activity loss, mainly caused by Pt Ostwald ripening, and does not lead to a significant change in double-layer capacitance. In alkaline, the Pt/C catalyst after high-potential cycling shows a decrease of double-layer capacitance over time because of carbon layer dissolution. TEM images reveal larger Pt agglomerates in alkaline, due to high Pt mobility. These findings provide new insights into the role of catalyst and carbon support interface in developing mitigation strategies for stable fuel cell operation.


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  • 81. Chemical Interactions and Electronic Properties Due to Alkaline Earth Atom Dopants on Graphene: a Density Functional Theory Study, RSC Advances, Volume 11 (2021) Pages 6268-6283 (IF = 3.07), A. Serraon, J. A. D. del Rosario, P. Y. Chuang, C. M. Nan, Y. Morikawa, A. A. Padama, J. D. Ocon

    Abstract:

    Renewable energy (RE) utilization is expected to increase in the coming years due to its decreasing costs and the mounting socio-political pressure to decarbonize the world’s energy systems. On the other hand, lithium-ion (Li-ion) batteries are on track to hit the target 100 USD/kWh price in the next decade due to economy of scale and manufacturing process improvements, evident in the rise in Li-ion gigafactories. The forecast of RE and Li-ion technology costs is important for planning RE integration into existing energy systems. Previous cost predictions on Li-ion batteries were conducted using conventional learning curve models based on a single factor, such as either installed capacity or innovation activity. A two-stage learning curve model was recently investigated wherein mineral costs were taken as a factor for material cost to set the floor price, and material cost was a major factor for the battery pack price. However, these models resulted in the overestimation of future prices. In this work, the future prices of Li-ion nickel manganese cobalt oxide (NMC) battery packs – a battery chemistry of choice in the electric vehicle and stationary grid storage markets – were projected up to year 2025 using multi-factor learning curve models. Among the generated models, the two-factor learning curve model has the most realistic and statistically sound results having learning rates of 21.18% for battery demand and 3.0% for innovation. By year 2024, the projected price would fall below the 100 USD/kWh industry benchmark battery pack price, consistent with most market research predictions. Techno-economic case studies on the microgrid applications of the forecasted prices of Li-ion NMC batteries were conducted. Results showed that the decrease in future prices of Li-ion NMC batteries would make 2020 and 2023 the best years to start investing in an optimum (solar photovoltaic + wind + diesel generator + Li-ion NMC) and 100% RE (solar photovoltaic + wind + Li-ion NMC) off-grid energy system, respectively. A hybrid grid-tied (solar photovoltaic + grid + Li-ion NMC) configuration is the best grid-tied energy system under the current net metering policy, with 2020 being the best year to deploy the investment.


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  • 80. Development of Magnesium-based Transient Primary Battery, ChemistryOpen, Volume 10 (2021) Page 471-476 (IF =2.37), J. Togonon, E. A. Esparcia Jr., J. A. D. Del Rosario, J. D. Ocon

    Abstract:

    Biodegradable primary batteries, also known as transient batteries, are essential to realize autonomous biodegradable electronic devices with high performance and advanced functionality. In this work, magnesium, copper, iron, and zinc ‐ metals that exist as trace elements in the human body ‐ were tested as materials for biomedical transient electronic devices. Different full cell combinations of Mg and X (where X = Cu, Fe, and Zn and the anodized form of the metals) with phosphate buffered saline (PBS) as electrolyte were studied. To form the cathodes, metal foils were anodized galvanostatically at a current density of 2.0 mA cm⁻² for 30 mins. Electrochemical measurements were then conducted for each electrode combination to evaluate full cell battery performance. Results showed that the  Mg−Cuanodized chemistry has the highest power density at 0.99 mW/cm2. Nominal operating voltages of 1.26 V for the first 0.50 h and 0.63 V for the next 3.7 h were observed for Cuanodized which was discharged at a current density of 0.70 mA cm-2. Among the materials tested Cuanodized exhibited the best discharge performance with an average specific capacity of 2.94 mAh cm-2, which is comparable to previous reports on transient batteries.

  • 79. Transition Pathway Towards 100% Renewable Energy Across the Sectors of Power, Heat, Transport, and Desalination for the Philippines, Renewable and Sustainable Energy Reviews, Volume 144 (2021) Page 110934 (IF = 12.1), A. Gulagi, M. T. Alcanzare, D. Bogdanov, E. A. Esparcia Jr., J. D. Ocon, C. Breyer

    Abstract:

    Transition towards sustainable energy systems is of utmost importance to avert global consequences of climate change. Within the framework of the Paris Agreement and Marrakech Communique, this study analyses an energy transition pathway utilising renewable resources for the Philippines. The transition study is performed from 2015 to 2050 on a high temporal and spatial resolution data, using a linear optimisation tool. From the results of this study, technically, a 100% fossil free energy system in 2050 is possible, with a cost structure comparable to an energy system in 2015, while having zero greenhouse gas emissions. Solar PV as a generation and batteries a as storage technology form the backbone of the energy system during the transition. Direct and indirect electrification across all sectors would result in an efficiency gain of more than 50% in 2050, while keeping the total annual investment within 20‐55 b€. Heat pumps, electrical heating, and solar thermal technologies would supply heat, whereas, direct electricity and synthetic fuels would fuel the energy needs of the transport sector. The results indicate that, indigenous renewable resources in the Philippines could power the demand from all energy sectors, thereby, bringing various socio-economic benefits.


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  • 78. Understanding the Synergistic Role of Pt-Mediated MoO3 Photoanode with Self-Photorechargeability during Illuminated and Non-Illuminated Conditions: A Combined Experimental and Density Functional Theory Study, Journal of the Taiwan Institute of Chemical Engineers, Volume 120 (2021) Pages 381-390. (IF = 4.79), C. Y. Chot, A. C. Serraon, C. S. Yaw, A. K. Soh, J. D. Ocon, C. M. Nan

    Abstract:

    Here, we synthesize a functional MoO3 photoanode with self-photorechargeability through aerosol-assisted chemical vapour deposition. The role of platinum co-catalyst in Pt-mediated MoO3 photoanode (Pt/MoO3) was investigated to improve and maintain its charge density to enable photoelectrochemical water oxidation under non-irradiated condition. Raman spectroscopy and X-ray diffraction analyses showed that the orthorhombic phase of MoO3 was formed with significant Raman diffraction peaks and crystal planes were grown in the (0k0) crystallographic orientation for better charge storage capacity in MoO3 photoanodes, respectively. Furthermore, the chronoamperometry measurements of the Pt/MoO3 photoanode revealed that both current and charge densities were improved by 29 times and 94 times, respectively, than the bare MoO3 photoanode. This is attributed to the presence of Pt co-catalyst, which acts as an effective electron sink in inhibiting the recombination of photogenerated charge carriers. A density functional theory simulation was then used to validate the experimental findings and fundamental mechanisms of self-photorechargeability in Pt/MoO3 photoanodes. It was found that the distinct characteristic of slow decay in charge density of Pt/MoO3 photoanode is due to the formation of alkali cation/metal layer, where the intercalated photogenerated electrons require a higher energy to overcome the energetic barrier of the alkali cation/metal layer.


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2020

  • 77. Fabrication of Cellulose Acetate-based Radiation Grafted Anion Exchange Membranes for Fuel Cell Application, Journal of Applied Polymer Science (2020) (IF = 2.2), A. J. Samaniego, A. K. Arabelo, M. Sarker, F. Mojica, J. Madrid, P.-Y. A. Chuang, J. D. Ocon, R. D. V. Espiritu

    Abstract:

    Novel cellulose acetate-based anion exchange membranes (CA-AEM) are successfully synthesized via gamma radiation grafting as a possible renewable alternative to commercial AEMs. Using CA film precursors with degree of acetylation of 2.5, the synthesized AEM shows a high ion exchange capacity of 2.15 mmol g-1 obtained at high degree of grafting of 45%. It was determined using thermogravimetric analysis that the radiation-grafted CA-AEM has stable amine functional groups under oxygen environment within the normal operating temperature range of alkaline fuel cells. The CA-AEM also exhibits appreciable performance over a range of temperatures, with a highest ionic conductivity of up to 0.163 S cm-1 depending on the synthesis parameters. Results revealed that membranes prepared using gamma radiation dose of 31 kGy and- above are susceptible to mechanical and dimensional instability due to increased water uptake and degree of swelling. Further study should consider the balance between grafting parameters and the desired hydrophysical properties.


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  • 76. Projecting the Price of Lithium-ion NMC Battery Packs using a Multifactor Learning Curve Model, Energies, Volume 13 (2020) Page 5276 (IF = 2.7), X. N. Penisa, M. Castro, J. D. Pascasio, E. A. Esparcia Jr., O. Schmidt, J. D. Ocon

    Abstract:

    Renewable energy (RE) utilization is expected to increase in the coming years due to its decreasing costs and the mounting socio-political pressure to decarbonize the world’s energy systems. On the other hand, lithium-ion (Li-ion) batteries are on track to hit the target 100 USD/kWh price in the next decade due to economy of scale and manufacturing process improvements, evident in the rise in Li-ion gigafactories. The forecast of RE and Li-ion technology costs is important for planning RE integration into existing energy systems. Previous cost predictions on Li-ion batteries were conducted using conventional learning curve models based on a single factor, such as either installed capacity or innovation activity. A two-stage learning curve model was recently investigated wherein mineral costs were taken as a factor for material cost to set the floor price, and material cost was a major factor for the battery pack price. However, these models resulted in the overestimation of future prices. In this work, the future prices of Li-ion nickel manganese cobalt oxide (NMC) battery packs – a battery chemistry of choice in the electric vehicle and stationary grid storage markets – were projected up to year 2025 using multi-factor learning curve models. Among the generated models, the two-factor learning curve model has the most realistic and statistically sound results having learning rates of 21.18% for battery demand and 3.0% for innovation. By year 2024, the projected price would fall below the 100 USD/kWh industry benchmark battery pack price, consistent with most market research predictions. Techno-economic case studies on the microgrid applications of the forecasted prices of Li-ion NMC batteries were conducted. Results showed that the decrease in future prices of Li-ion NMC batteries would make 2020 and 2023 the best years to start investing in an optimum (solar photovoltaic + wind + diesel generator + Li-ion NMC) and 100% RE (solar photovoltaic + wind + Li-ion NMC) off-grid energy system, respectively. A hybrid grid-tied (solar photovoltaic + grid + Li-ion NMC) configuration is the best grid-tied energy system under the current net metering policy, with 2020 being the best year to deploy the investment.


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  • 75. Quantifying the Techno-Economic Potential of Grid-tied Solar Photovoltaic Systems in the Philippine Industrial Sector, Energies, Volume 13 (2020) Page 5070 (IF = 2.7), P. G. Jara, M. T. Castro, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    The industrial sector is a major contributor to the economic growth of the Philippines. However, it is also one of the top consumers of energy, which is produced mainly from fossil fuels. The Philippine industrial sector must therefore be supported economically while minimizing the emissions associated with energy consumption. A potential strategy for minimizing costs and emissions is the installation of solar photovoltaic (PV) modules on the rooftops of industrial facilities, but this approach is hindered by existing energy policies in the country. In this work, we performed a techno-economic assessment on the implementation of rooftop solar PV in Philippine industrial facilities under different policy scenarios. Our study considered 139 randomly sampled industrial plants under MERALCO franchise area in the Philippines. Under the current net metering policy, 132 of the evaluated facilities were economically viable for the integration of rooftop solar PV. This corresponds to an additional 1035 MWp of solar PV capacity and the avoidance of 8.4 million tons of CO2 emissions with minimal financial risk. In comparison, an expanded net metering policy supports the deployment of 4653 MWp of solar PV and the avoidance of 38 million tons of CO2. By enabling an enhanced net metering policy, the widespread application of rooftop solar PV may present considerable savings and emission reduction for energy-intensive industries (electrical and semiconductors, cement and concrete, steel and metals, and textile and garments) and lower generation costs for less energy intensive industries (construction and construction materials, transportation and logistics, and food and beverages).


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  • 74. Activated Carbon-Nickel(II) Oxide Electrodes for Capacitive Deionization, Applied Chemistry for Engineering, Volume 31 (2020) Pages 552-559, K. A. Gandionco, J. W. Kim, J. D. Ocon, J. Lee

    Abstract:

    Activated carbon-nickel (II) oxide (AC-NiO) electrodes were studied as materials for the capacitive deionization (CDI) of aqueous sodium chloride solution. AC-NiO electrodes were fabricated through physical mixing and low-temperature heating of precursor materials. The amount of NiO in the electrodes was varied and its effect on the deionization performance was investigated using a single-pass mode CDI setup. The pure activated carbon electrode showed the highest specific surface area among the electrodes. However, the AC-NiO electrode with approximately 10 and 20% of NiO displayed better deionization performance. The addition of a dielectric material like NiO to the carbon material resulted in the enhancement of the electric field, which eventually led to an improved deionization performance. Among all as-prepared electrodes, the AC-NiO electrode with approximately 10% of NiO gave the highest salt adsorption capacity and charge efficiency, which are equal to 7.46 mg/g and 90.1%, respectively. This finding can be attributed to the optimum enhancement of the physical and chemical characteristics of the electrode brought by the addition of the appropriate amount of NiO.


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  • 73. Decentralized versus Clustered Microgrids: An Energy Systems Modelling Study for Reliable Rural Electrification in Small Islands, Energies, Volume 13, Issue 17 (2020) 4454 (IF = 2.7), O. F. Agua, R. J. Basilio, M. E. Pabillan, M. T. Castro, J. D. Ocon

    Abstract:

    Philippine off-grid islands are mostly electrified by diesel generators, resulting in costly electricity that is interrupted by fuel supply disruptions. The archipelagic nature of the country also impedes off-grid electrification due to the high capital cost of grid extension. Transitioning from diesel-only systems to hybrid renewable energy systems and interconnecting the island microgrids can solve these problems while promoting cleaner energy production. In this work, a comparative study on decentralized and clustered hybrid renewable energy system microgrids in the Polillo group of islands in the Philippines, using HOMER Pro, was performed. Microgrids comprising solar photovoltaics, lithium-ion battery energy storage, and diesel generators were designed on each island. Clustered systems encompassing multiple islands in the island group were simulated by also considering the least-cost interconnection paths. The techno-economics of each decentralized or clustered system and the four-island system were evaluated based on the levelized cost of electricity (LCOE). Reliability was assessed using the change in LCOE upon the failure of a component and during weather disturbances. Transitioning from diesel-only systems to hybrid systems reduces generation costs by an average of 42.01% and increases the renewable energy share to 80%. Interconnecting the hybrid systems results in an average increase of 2.34% in generation costs due to the cost of submarine cables but improves system reliability and reduces the optimum solar photovoltaic and lithium-ion storage installations by 6.66% and 8.71%, respectively. This research serves as a framework for the interconnection pre-feasibility analysis of other small off-grid islands.


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  • 72. Spatiotemporal Variation in Groundwater Arsenic in Pampanga, Philippines: Water Quality Assessment for Community-based Intervention, Water, Volume 12, Issue 9 (2020) Page 2366 (IF=2.5), K. L. B. Solis, R. Q. Macasieb, R. C. Parangat Jr., A. C. Resurreccion, J. D. Ocon

    Abstract:

    Several confirmed cases of arsenic (As) poisoning have been reported in Central Luzon, the Philippines, in recent years. There is a growing interest in As research in the Philippines due to the reported As poisoning cases. However, an extensive spatiotemporal As study has not been conducted. In this work, As concentration measurements were conducted in 101 wells in Guagua, Pampanga, in Central Luzon, the Philippines, from November 2018 to November 2019. The wells included 86 public hand pumps, 10 pumping stations, and 5 private, jet-powered pumps. Using hydride generation—inductively coupled plasma—optical emission spectroscopy (HG-ICP-OES), analysis of the wells in 12 barangays in Guagua revealed that 38.7% had average As concentrations beyond the 10 ppb limit with some wells having high Mn (4.0 ppm) and Fe (2.0 ppm) content as well. The high pH and reducing conditions in the wells in Guagua may have contributed to the persistence of As in the groundwater. The mean difference in wet season versus dry season As measurements were -4.4 (As < 10 ppb), -13.2 (10 to 50 ppb As), -27.4 (As > 50 ppb). Eighty-three wells (82.2%) had higher As concentrations in the dry season, 8 wells (7.92%) had higher As concentrations in the wet season, 7 wells (6.93%) had no significant difference between the wet and dry season, and 3 wells had been decommissioned. These results indicate that there is a significant difference in As concentrations in the wet and dry seasons, and this could have implications in water treatment technology and policy implementation. The work resulted in the first year-long characterization of groundwater As in the Philippines.


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  • 71. Arsenic Removal by Advanced Electrocoagulation Processes: The Role of Oxidants Generated and Kinetic Modelling, Catalysts, Volume 10, Issue 8 (2020) Page 928 (IF = 3.4), M. F. Montefalcon, M. Chiong, A. C. Resurreccion, S. Garcia-Segura, J. D. Ocon

    Abstract:

    Arsenic (As) is a naturally occurring element in the environment that poses significant risks to human health. Several treatment technologies have been successfully used in the treatment of As-contaminated waters. However, limited literature has explored advanced electrocoagulation (EC) processes for As removal. The present study evaluates the As removal performance of electrocoagulation, electrochemical peroxidation (ECP), and photo-assisted electrochemical peroxidation (PECP) technologies at circumneutral pH using electroactive iron electrodes. The influence of As speciation and the role of oxidants in As removal were investigated. We have identified the ECP process to be a promising alternative for the conventional EC with around 4-fold increase in arsenic removal capacity at a competitive cost of 0.0060 $/m3. Results also indicated that the rate of As(III) oxidation at the outset of electrochemical treatment dictates the extent of As removal. Both ECP and PECP processes reached greater than 96% As(III) conversion at 1 C/L and achieved 86% and 96% As removal at 5 C/L, respectively. Finally, the mechanism of As(III) oxidation was evaluated, and results showed that Fe(IV) is the intermediate oxidant generated in advanced EC processes, and the contribution of ●OH brought by UV irradiation is insignificant.


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  • 70. What Makes Energy Systems in Climate-Vulnerable Islands Resilient? Insights from the Philippines and Thailand, Energy Research & Social Science, Volume 69 (2020) Page 101703 (IF = 2.2), L. Delina, J. D. Ocon, E. Esparcia Jr.

    Abstract:

    Destructive weather extremes ‐ the key impacts of the climate emergency ‐ acutely signal the need to increase the resiliency, especially of climate-vulnerable islands and its peoples. “Islands” are detached communities that are either geographically bounded by water or are metaphors for inland off-grid villages. The extant literature on resilient infrastructures is rich, but this corpus is mostly concentrated on food and water systems, security, and transport. Making energy systems resilient in islands, this paper argues, is equally important. In these island energy systems, resilience can be achieved by regarding them as sociotechnical assemblages where engineering innovation is co-produced alongside social and institutional shifts. This article suggests that resilient energy systems in islands can be checked against their explicit characteristics as a system condition, as a set of processes, and as a set of outcomes. Understanding power relations and ethical concerns are also important. To illustrate these characteristics, case studies from Romblon in the Philippines (a geographic island) and Petchaburi in Thailand (a metaphorical island) are provided. There is no perfect resilient island energy systems, but these illustrations show that they can be pursued.


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  • 69. Direct Ethanol Electrooxidation on Phase- and Morphology-Controlled Ni(OH)2 Catalysts, Catalysts, Volume 10, Issue 7 (2020) Page 740 (IF = 3.4), J. Lidasan, J. A. del Rosario, J. D. Ocon

    Abstract:

    The electrooxidation kinetics of ethanol is key to making direct ethanol fuel cells and electrocatalytically reforming ethanol viable technologies for a more sustainable energy conversion. In this study, the electrooxidation of ethanol was investigated on nickel hydroxide (Ni(OH)2) catalysts synthesized using a facile solvothermal method. Variations in the temperature, heating time, and the addition of oleylamine in the precursor enabled the phase and morphology control of the catalysts. X-ray diffraction and scanning electron microscopy show that the addition of oleylamine in the precursor resulted in microspheres with a high surface area, but favored the formation of β-phase Ni(OH)2. Elevated temperatures or prolonged periods of heating in a controlled environment, on the other hand, can lead to the formation of the ethanol oxidation reaction-active α-phase. Among the synthesized catalysts, the α-Ni(OH)2 microspheres with nanoflakes achieved the highest activity for ethanol oxidation with a current density of 24.4 mA cm2 at 1.55 V (vs. RHE, reversible hydrogen electrode) in cyclic voltammetry tests and stable at 40 mA cm2 in chronoamperometric tests at the same potential, comparatively higher than other Ni-based catalysts found in the literature. While the overpotential is beyond the useful range for direct ethanol fuel cells, it may be useful for understanding the mechanism of ethanol oxidation reactions on transition metal hydroxides at their oxidizing potential for ethanol electroreforming.


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  • 68. Facile Synthesis and Characterisation of Functional MoO3 Photoanode with Self-Photorechargeability, Journal of Alloys and Compounds, Volume 838 (2020) Page 155624 (IF = 4.175), C. Y. Chot, M. N. Chong, A. K. Soh, C. Saint, J. D. Ocon

    Abstract:

    There is a growing research interest in exploring the self-photorechargeability of photoanodes, which enables photoelectrochemical (PEC) water oxidation even under non-irradiated conditions. The main aim of this study was to develop a facile synthesis of molybdenum trioxide (MoO3) photoanode displaying self-photorechargeability using an aerosol-assisted chemical vapour deposition (AA-CVD) method. A systematic optimisation of the key synthesis parameters of AA-CVD method, namely: (1) ultrasonication time of precursor solution, and (2) annealing temperature was carried out in order to understand the best trade-off between photocurrent density (illuminated conditions) and charge density (non-illuminated conditions). Field emission-scanning electron microscopy images showed that the MoO3 photoanodes synthesized via AA-CVD method exhibited a 3D plate-like crystalline structure that gave a large voltammogram area, indicating that the MoO3 photoanodes possessed high charge storage capacity for photogenerated electrons. PEC measurements showed that the optimised MoO3 photoanode obtained during an ultrasonication time of 25 min and at the annealing temperature of 500 ℃ achieved a photocurrent density of 1.47 µcm2 at 1.0 V vs Pt electrode. A significantly prolonged on-off illumination cycle (i.e. 1000 s) showed a significant storage capacity of photogenerated electrons within the 3D plate-like MoO3 crystalline structure was discharged during the non-irradiated conditions, and a charge density of 0.35 mC/cm2.


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  • 67. Cluster Size Effects on the Adsorption of CO, O, and CO2, and the Dissociation on Two-Dimensional Cux (x = 1, 3, and 7) Clusters Supported on Cu(111) Surface: A Density Functional Theory Study, Journal of Physics: Condensed Matter, Volume 32 (2020) Page 40 (IF = 2.7), E. R. Beronio, A. N. Hipolito, J. D. Ocon, H. Nakanishi, H. Kasai, A. A. B. Padama

    Abstract:

    In this study, we performed density functional theory based calculations to determine the effect of the size of Cux (x = 1 (adatom), 3 (trimer), 7 (heptamer)) clusters supported on Cu(111) toward the adsorption of CO, O, and CO2, and the dissociation of CO2. CO adsorbs with comparable adsorption energies on the different cluster systems, which are influenced by the reactivity of the Cu atoms in the cluster and the interaction of CO with the Cu atoms in the terrace. The O atom, on the other hand, will always favor to adsorb on hollow sites and is more stable on the hollow sites of smaller clusters. CO2 dissociates with lower activation energy on the cluster region than on flat Cu(111). We obtained the lowest activation energy on Cu3 due to its more reactive Cu atoms than the Cu7 case and due to the possibility of O to adsorb on the cluster region, which is not observed in the Cu1 case. The presented results will provide insights on future studies on supported cluster systems and their possible use as catalysts for CO2-related reactions.


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  • 66. Experimental and Computational Study of Flowfield Design in PEM Fuel Cells, Fuel Cells, Volume 20 (2020) Pages 547-557 (IF = 2.2), F. Mojica, M. A. Rahman J. M. Mora, J. D. Ocon, P.-Y. A. Chuang

    Abstract:

    The flow field is an integral part of a proton exchange membrane fuel cell. In this work, three flow-field designs, including straight parallel, multiple channel serpentine, and single channel serpentine, are studied systematically to investigate their effects on fuel cell performance. To evaluate the characteristics of each design, relative humidity and flow rate are parametrically adjusted to evaluate performance experimentally. A finite element-based 3D steady state, single phase COMSOL computational model is employed to analyze reactant distribution and fuel cell performance. The single channel serpentine exhibits the best performance under the greatest variety of operating conditions, but also experiences the highest inlet-outlet pressure differentials. This study shows that parallel channel design has more evenly distributed reactant concentration, but is prone to liquid water accumulation, which requires high flow rate to remain stable operation under wet conditions. In summary, the multiple channel serpentine design can provide a reasonable balance between pressure drop and flow distribution with robust fuel cell operation.


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  • 65. A Comparative Technoeconomic Analysis of Different Desalination Technologies in Off-Grid Islands, Energies, Volume 13, Issue 9 (2020) Page 2261 (IF = 2.7), M. T. Castro, M. T. Alcanzare, E. Esparcia Jr., J. D. Ocon

    Abstract:

    Freshwater in off-grid islands is sourced from rain, groundwater, or mainland imports, which are unreliable, limited, and expensive, respectively. Sustainable freshwater generation from desalination of abundant seawater is another alternative worth exploring. Model-based techno-economic simulations have focused on reverse osmosis desalination due to its low energy consumption and decreasing costs. However, reverse osmosis requires frequent and costly membrane replacement. Other desalination technologies have advantages such as less stringent feedwater requirements, but detailed studies are yet to be done. In this work, a techno-economic comparison of multi-effect distillation, multi-stage flash, mechanical vapor compression, and reverse osmosis coupled with solar photovoltaic-lithium ion-diesel hybrid system was performed by comparing power flows to study the interaction between energy and desalination components. Optimization with projected costs were then performed to investigate future trends. Lastly, we used stochastic generation and demand profiles to infer uncertainties in energy and desalination unit sizing. Reverse osmosis is favorable due to low energy and water costs, as well as possible compatibility with renewable energy systems. Multi-effect distillation and multi-stage flash may also be advantageous for low-risk applications due to system robustness.


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  • 64. Hydrothermally Carbonized Waste Biomass as Electrocatalysts for α-MnO2 in Oxygen Reduction Reaction, Catalysts, Volume 10 (2020) Page 177 (IF = 3.4), H. Pangonoron, J. Pascasio, J. A. D. Del Rosario, E. Esparcia Jr., J. D. Ocon

    Abstract:

    Sluggish kinetics in oxygen reduction reaction (ORR) requires low-cost and highly durable electrocatalysts ideally produced from facile methods. In this work, we explored the conversion and utilization of waste biomass as potential carbon support for α-MnO2 catalyst in enhancing its ORR performance. Carbon supports were derived from different waste biomass via hydrothermal carbonization (HTC) at different temperature and duration, followed by KOH activation and subsequent heat treatment. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), energy dispersive X-ray spectroscopy (EDX) and X-Ray diffraction (XRD) were used for morphological, chemical, and structural characterization, which revealed porous and amorphous carbon supports for α-MnO2. Electrochemical studies on ORR activity suggest that carbon-supported α-MnO2 derived from HTC of corncobs at 250 ℃ for 12 h (CCAC + MnO2 250-12) gives the highest limiting current density and lowest overpotential among the synthesized carbon-supported catalysts. Moreover, CCAC + MnO2 250-12 facilitates ORR through a 4-e– pathway, and exhibits higher stability compared to VC + MnO2 (Vulcan XC-72) and 20% Pt/C. The synthesis conditions preserve oxygen functional groups and form porous structures in corncobs, which resulted in a highly stable catalyst. Thus, this work provides a new and cost-effective method of deriving carbon support from biomass that can enhance the activity of α-MnO2 towards ORR.


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  • 63. Impacts of Morphologically-controlled ZnO Nanoarchitectures on Aerobic Microbial Communities During Real Wastewater Treatment in an Aerobic-Photocatalytic System, Environmental Pollution, Volume 259 (2020) Page 113867 (IF = 5.71), J. S. Chang, M. N. Chong, P. E. Poh, Q. Ayub, J. D. Ocon

    Abstract:

    This study aimed to evaluate the impacts of morphological-controlled ZnO nanoarchitectures on aerobic microbial communities during real wastewater treatment in an aerobic-photocatalytic system. Results showed that the antibacterial properties of ZnO nanoarchitectures were significantly more overwhelming than their photocatalytic properties. The inhibition of microbial activities in activated sludge by ZnO nanoarchitectures entailed an adverse effect on wastewater treatment efficiency. Subsequently, the 16S sequencing analysis were conducted to examine the impacts of ZnO nanoarchitectures on aerobic microbial communities, and found the significantly lower microbial diversity and species richness in activated sludge treated with 1D-ZnO nanorods as compared to other ZnO nanoarchitectures. Additionally, 1D-ZnO nanorods reduced the highest proportion of Proteobacteria phylum in activated sludge due to its higher proportion of active polar surfaces that facilitates Zn2+ ions dissolution. Pearson correlation coefficients showed that the experimental data obtained from COD removal efficiency and bacterial log reduction were statistically significant (p-value < 0.05), and presented a positive correlation with the concentration of Zn2+ ions. Finally, a non-parametric analysis of Friedman test and post-hoc analysis confirmed that the concentration of Zn2+ ions being released from ZnO nanoarchitectures is the main contributing factor for both the reduction in COD removal efficiency and bacterial log reduction.


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  • 62. Exploration of a Novel Type II 1D-ZnO Nanorods/BiVO4 Heterojunction Photocatalyst for Water Depollution, Journal of Industrial and Engineering Chemistry, Volume 83 (2020) Pages 303-314 (IF = 4.98), J. S. Chang, M. N. Chong, Y. W. Phuan, J. S. Chang, J. D. Ocon

    Abstract:

    In this study, we reported on the successful fabrication of a novel heterojunction photocatalyst (in particulate system) with a Type II band alignment between 1D-ZnO nanorods and BiVO4 nanocrystals. Pristine 1D-ZnO nanorods and BiVO4 nanocrystals were first fabricated through hydrothermal reaction followed by heterojunction formation via the wet chemical reaction. The 1D-ZnO/xBiVO4 heterojunction photocatalyst (x = weight ratio of BiVO4 in g) that found optimum when x = 0.08 g was used for the degradation of salicylic acid (SA) and Reactive Black 5 (RB5) resulting in high pseudo-first-order reaction rate constants of 0.0049 min 1 and 0.0132 min 1, respectively. Electrochemical studies proved that the 1D-ZnO/0.08BiVO4 heterojunction photocatalyst demonstrated a fast charge mobility and the most efficient photogenerated charge carriers separation among other heterojunction samples as analysed from PL spectra. Besides, UV‐vis spectroscopic measurement and optical characterisation showed that the improved photoactivity in 1D-ZnO/BiVO4 is attributed to the formation of a Type II heterojunction staggered arrangement that enables a broader visible-light harvesting ability. Finally, a postulation photocatalytic mechanism was proposed based on the theoretical band alignment diagram between the 1D-ZnO nanorods and BiVO4 nanocrystals as well as portraying the fundamental charge carriers transfer within the 1D-ZnO/BiVO4 heterojunction photocatalyst.


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  • 61. Multi-Dimensional Zinc Oxide (ZnO) Nanoarchitectures as Efficient Photocatalysts: What is the Fundamental Factor that Determines Photoactivity in ZnO?, Journal of Hazardous Materials, Volume 381(2020) Pages 120958 (IF= 7.65), J. S. Chang, M. N. Chong, J. Strunk, P. E. Poh, J. D. Ocon

    Abstract:

    While bulk zinc oxide (ZnO) is of non-toxic in nature, ZnO nanoarchitectures could potentially induce the macroscopic characteristics of oxidative, lethality and toxicity in the water environment. Here we report a systematic study through state-of-the-art controllable synthesis of multi-dimensional ZnO nanoarchitectures (i.e. 0D-nanoparticle, 1D-nanorod, 2D-nanosheet, and 3D-nanoflowers), and subsequent in-depth understanding on the fundamental factor that determines their photoactivities. The photoactivities of resultant ZnO nanoarchitectures were interpreted in terms of the photodegradation of salicylic acid as well as inactivation of Bacillus subtilis and Escherichia coli under UV-irradiation. Photodegradation results showed that 1D-ZnO nanorods demonstrated the highest salicylic acid photodegradation efficiency (99.4%) with a rate constant of 0.0364 min-1. 1D-ZnO nanorods also exhibited the highest log reductions of B. subtilis and E. coli of 3.5 and 4.2, respectively. Through physicochemical properties standardisation, an intermittent higher k value for pore diameter (0.00097 min-1 per mm), the highest k values for crystallite size (0.00171 min-1 per nm) and specific surface area (0.00339 min-1 per m2/g) contributed to the exceptional photodegradation performance of nanorods. Whereas, the average normalised log reduction against the physicochemical properties of nanorods (i.e. low crystallite size, high specific surface area and pore diameter) caused the strongest bactericidal effect.


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2019

  • 60. Optimal Multi-Criteria Selection of Energy Storage Systems for Grid Applications, Chemical Engineering Transactions, Volume 76 (2019) Pages 1153-1158, S. M. M. Cruz, E. A. Esparcia Jr., J. D. A. Pascasio, R. R. Tan, K. B. Aviso, M. A. B. Promentilla, J. D. Ocon

    Abstract:

    Currently, a wide variety of energy storage alternatives are available, each with a unique set of characteristics advantageous on selective applications. Current studies focus only on levelized costs on predicting the best-fit technology for specific applications. The study addresses this limitation by considering multiple factors on the selection process among technologies for specific applications. A systematic approach on the selection of energy storage technologies based on multiple and possible conflicting factors was proposed in this study for two specific applications: frequency regulation and load levelling. Fuzzy Analytic Hierarchy Process was utilized to generate the relative importance of each criterion. Monte Carlo simulations were performed to reflect the effect of battery characteristics and operating parameters uncertainties on the resulting scores of technologies. Grey Relational Analysis was used to aggregate the performance attributes of alternatives into a single score reflecting the desirability of alternatives. The levelized costs dominated all other criteria for both applications. Lithium ion battery dominated all technologies for both applications resulting from its well-rounded performance across all considered attributes. Results emphasized the importance of considering socio-economic indicators alongside techno-economic parameters on selecting the technology for future deployment. Thorough analysis on the results is important not only for decision-makers but for developers and innovators as well to direct future research.


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  • 59. Waste Biomass Integration for Reducing Diesel Fuel Consumption for Philippine Off-Grid Islands, Chemical Engineering Transactions, Volume 76 (2019) Pasig 943-948, M. A. Dejucos, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    A techno-economic assessment was made for thirteen large off-grid islands in the Philippines using HOMER Pro (Hybrid Optimization Model for Electric Renewables Software) to determine the feasibility of integrating waste biomass into their energy systems. Sensitivity analysis on the diesel fuel prices and biomass feedstock prices was performed to determine their effects on the levelized cost of electricity (LCOE) and the renewable energy (RE) share. The results suggest that an average LCOE reduction of around 4.57 %, fuel reduction of 5.71 %, and RE share increase of 4.99 % can be realized by integrating biomass to the existing diesel system even without incorporation of other renewable energy generators such as solar photovoltaics. In cases where biomass is available in large quantities, and the energy demand is relatively low, LCOE reduction, fuel reduction, and RE share increase may even reach up to more than 20 %. This makes the integrated biomass-diesel hybrid system a viable option for reducing diesel consumption in the off-grid islands. And even with the establishment of a feedstock market, the biomass-diesel hybrid system still has a lower LCOE compared to the existing diesel-only systems. This work provides the first systematic techno-economic study on the potential of incorporating waste biomass in off-grid islands.


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  • 58. Cost Saving Potential of Grid-Tied Solar Photovoltaic-based Hybrid Energy Systems in the Philippine Industrial Sector, Chemical Engineering Transactions, Volume 76 (2019) Pages 937-942, P. G. B. Jara, M. T. Castro, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    The Philippine Industrial Sector contributes USD 124×109 (~PHP 6.5×1012) or about 1/3 in the economy. However, the electricity cost, which is 2nd highest in Asia, constitutes up to 10 % of their total operating expenses. This hinders foreign direct investment to the country. Solar photovoltaic grid-tied hybrid energy systems are one of the emerging ways to reduce electricity expenses of the industrial sector. Current net-metering policy, which enables grid-tied systems, restricts the export of energy to the grid up to 100 kWp with compensation equal to the average generation rate of the distribution utility. This work evaluates the techno-economic viability of putting up solar photovoltaic grid-tied hybrid energy systems for 66 randomly selected industrial establishments classified under electrical/electronics/semiconductors, steel/metal, food/beverages, transportation/logistics and textile/garment sub-sectors using Island System LCOEmin Algorithm (ISLA). ISLA will provide the optimal system component sizes of solar photovoltaic and battery in the least levelized cost of electricity (LCOE) by performing hourly calculations for one reference year using actual load profiles. The results suggest 63 out of 66 sample industrial establishments are viable to put up solar photovoltaic grid-tied hybrid energy systems, with a total solar photovoltaic capacity of 783 MWp. There are 7 establishments that are capable of off-grid solar photovoltaic-battery-diesel configuration. If export restriction in net-metering policy is lifted, the total solar photovoltaic potential will significantly increase up to 3,947 MWp, which corresponds to LCOE reduction to USD 0.14 (~PHP 7.2) per kWh and increase in renewable energy share to 34 %. This work shows that tapping solar rooftop potential and amending the net-metering policy increases operational savings of the Philippine industrial sector.


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  • 57. Techno-Economics of Desalination as Demand-side Management for Philippine Off-Grid Islands, Chemical Engineering Transactions, Volume 76 (2019) Pages 1129-1134, M. T. Castro, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    Providing water supply in off-grid islands is difficult due to remoteness and high logistics cost. Despite interest in providing energy sustainability in these areas, there is relatively lesser interest in coupling it with sustainable water access. One of the possible solutions is through the use of reverse osmosis (RO) technology for desalination since it has a low energy requirement and high throughput. In this work, the techno-economic viability of incorporating desalination units was elucidated as demand-side management in different dispatch algorithm, accounting water-energy nexus. Different water-energy system configurations were optimized and simulated using ISLA, an open-source microgrid optimizer. Results suggest the viability of installing desalination units with a minimum-level dispatch algorithm yielding the lowest levelized cost of water (LCOW) with only minimal increase in the levelized cost of electricity (LCOE).


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  • 56. Long-Energy Discharge Flywheel versus Battery Energy Storage for Microgrids: A Techno-Economic Comparison, Chemical Engineering Transactions, Volume 76 (2019) Pages 949-954, E. A. Esparcia Jr., M. T. Castro, R. Buendia, J. D. Ocon

    Abstract:

    The energy storage deployment becomes necessary as more renewable energy sources are being installed to achieve sustainable energy access in off-grid areas. Battery prices, however, still hinder massive deployment. One of the energy storage technologies being developed for microgrid applications are flywheels, which stores energy through rotational kinetic energy and are typically suited for high power applications. With the advent of long-discharge flywheels, such as those being marketed by Amber Kinetics\xc2\xae and Beacon Power\xc2\xae, they can be used in microgrids, which are dominated by batteries. This study provides a techno-economic comparison with sensitivity analysis between long-discharge flywheel and utility-scale lithium-ion battery for microgrid applications. The results show lowest levelized cost of electricity (LCOE) for flywheel-based hybrid energy system with 0.345 USD/kWh and renewable share of 62.4 % among tested configurations. The competitiveness of long-discharge flywheel over lithium-ion battery in the microgrid market depends on the diesel prices, expected reduction in lithium-ion battery prices, and improvements in lithium-ion battery lifespan.


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  • 55. A Techno-Economic Assessment of Small Energy Access Microgrids in the Philippines, Chemical Engineering Transactions, Volume 76 (2019) Pages 967-972, P. Baricaua, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    In an effort to expedite the electrification in off-grid areas in the Philippines, the Qualified Third Party (QTP) scheme encourages private sector to engage in power generation and distribution business through competitive selection, a process that requires at least two rival bidders with rigorous registration requirements. An exemption is offered for microgrids with sub-100 kW capacity by not undergo competitive selection in order to further attract investors and private sector to engage in these off-grid areas since these areas are deemed highly unviable. The Department of Energy opened around 995 areas waived by electric cooperatives for third party servicing. The sub-100 kW capacity can serve areas with fewer than 500 household connections, which fits the profile of the 995 areas. In this work, the techno-economic feasibility of installation of sub-100 kW microgrids is done in order to know the required level of subsidies, loans, and/or grants to sustainably operate in these areas. The proposed microgrids were evaluated using ISLA, an open-source microgrid optimizer validated by HOMER Pro, by finding the optimal system component sizes of solar PV, battery, and diesel generators with the least levelized cost of electricity (LCOE). Initial results suggest initial investment cost for the establishment of 15 sub-100 kW microgrids ranged from USD 0.5 to 1 M (~PHP 25 to 55 M), with LCOE averaged at PHP 10.26/kWh. This corresponds to 30 % reduction relative to the LCOE from using diesel generator only. Strategies such as partial financing and full grant of capital expenditures show that the former can provide generation rates at par with typical generation rates of existing electric cooperatives at ~PHP 5 to 6 per kWh, while full subsidy can significantly reduce the generation cost to PHP 2 to 3 per kWh. Providing long term and low interest rates from financial institutions to fund these projects will help hasten the deployment of sub-100 kW microgrids. To achieve financial sustainability in these areas, productive use of energy through income generating projects should be highly encouraged in order to give the inhabitants the capacity to pay.


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  • 54. Grid Parity and Defection Studies in Major Philippine Cities using Solar Photovoltaic-plus-Storage Configuration, Chemical Engineering Transactions, Volume 76 (2019) Pages 955-960, N. G. A. Saplagio, E. A. Esparcia Jr., P. G. B. Jara, H. Meschede, J. D. Ocon

    Abstract:

    Due to the rapidly declining costs of solar photovoltaic (solar PV) modules and batteries, the possibility of defecting from the grid is starting to become an alternative for some consumers. Should many consumers defect from the grid, given the current rate structures, electricity prices would increase even faster which will further encourage more people to defect from the grid. This positive feedback loop has been called the “utility death spiral”. Previous grid defection studies were conducted in the United States, Australia, as well as some countries in Europe. In this work, the technical feasibility and economic viability of grid parity and defection were determined for residential customers in the major cities of the Philippines (Manila, Cebu and Davao) based on the franchise areas of Manila Electric Company, Visayan Electric Company, and Davao Light and Power Company. The grid defection analysis was divided into customer clustering, levelized cost of electricity (LCOE) calculation, and finally grid parity comparison. Three main clusters were identified based on the k-means clustering by utilizing 18 different features in order to get a more detailed overview on how many customers of each type are more likely to defect based on the representative load profiles from MERALCO. Average silhouette widths of 0.657, 0.587 and 0.585 were obtained for the three clusters. Based on the clusters, the LCOE of optimally sized solar PV-battery systems were calculated using Hybrid Optimization Model for Multiple Energy Resources Software, from 2018 up to 2050. The LCOE data were then compared to the projected retail electricity prices based on the actual data from the mentioned distribution utilities to find the economic viability of grid defection per customer cluster. Results show that grid parity and defection would be possible for residential customers starting in the next 30 y, with customers from Cebu more likely to defect first followed by Manila and then Davao. Based on the clustering, it was observed that the grid parity occurred earliest in Cluster C, followed by Cluster B, and then Cluster A. Different scenarios were also explored depending on the rate of decrease of local prices of photovoltaics, lithium-ion batteries, and a combination of both. Results show that decreasing battery prices play a bigger role achieving grid parity in the country.


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  • 53. High Renewable Energy (Solar Photovoltaics and Wind) Penetration Hybrid Energy Systems for Deep Decarbonization in Philippine Off-Grid Areas, Chemical Engineering Transactions, Volume 76 (2019) Pages 1135-1140, J. D. Pascasio, E. A. Esparcia Jr., J. D. Ocon

    Abstract:

    The Philippines has many off-grid areas relying on diesel generators for energy access, but have high greenhouse gas emissions, high electricity costs, and intermittent operation. An opportunity to decarbonize the energy system of off-grid islands is by harnessing both solar photovoltaic (PV) and wind power. This work evaluates the techno-economic viability of putting up solar PV-wind-battery-diesel hybrid energy systems in 143 existing off-grid island areas operated by the National Power Corporation-Small Power Utilities Group (NPC-SPUG) using HOMER\xc2\xae Pro. The application obtains the optimal system component sizes with the least levelized cost of electricity (LCOE). The results suggest that there are 137 islands capable of using both solar PV and wind generation, 4 islands using solar PV only, and 2 islands using wind only. The hybrid energy systems in the sample islands require USD 774,171,061 (~ PHP 40,643,980,682) worth of investment cost with potential annual savings of USD 132,403,163 (~ PHP 6,951,166,051). The resulting system capacities and their corresponding LCOEs suggest high sensitivity towards wind potential due to lower capital cost of wind and potential higher energy share up to 58.47 %. Wind generation for off-grid islands should be considered alongside solar PV, especially in areas with high wind potential, to provide reliable energy access and reduce greenhouse gas emissions.


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  • 52. Electrolyte-dependent Oxygen Evolution Reactions in Alkaline Media: Electrical Double Layer and Interfacial Interactions, ACS Applied Materials & Interfaces, Volume 11 (2019) Pages 33748-33758 (IF = 8.1), G. Li, M. Divinagracia, J. D. Ocon, A. Chuang

    Abstract:

    Traditional understanding of electrocatalytic reactions generally focuses on either covalent interactions between adsorbates and the reaction interface (i.e., electrical double layer, EDL) or electrostatic interactions between electrolyte ions. Here, our work provides valuable insights into interfacial structure and ionic interactions during alkaline oxygen evolution reaction (OER). The importance of inner-sphere OH‐ adsorption is demonstrated as the IrOx activity in 4.0 M KOH is 6.5 times higher than that in 0.1 M KOH. Adding NaNO3 as a supporting electrolyte, which is found to be inert for long-term stability, complicates the electrocatalytic reaction in a half cell. The nonspecially adsorbed Na+ in the outer compact interfacial layer is suggested to form a stronger noncovalent interaction with OH‐ through hydrogen bond than adsorbed K+, leading to the decrease of interfacial OH‐ mobility. This hypothesis highlights the importance of outer-sphere adsorption for the OER, which is generally recognized as a pure inner-sphere process. Meanwhile, based on our experimental observations, the pseudocapacitive behavior of solid-state redox might be more reliable in quantifying active sites for OER than that measured from the conventional EDL charging capacitive process. The interfacial oxygen transport is observed to improve with increasing electrolyte conductivity, ascribing to the increased accessible active sites. The durability results in a liquid alkaline electrolyzer which shows that adding NaNO3 into KOH solution leads to additional degradation of OER activity and long-term stability. These findings provide an improved understanding of the mechanistic details and structural motifs required for efficient and robust electrocatalysis.


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  • 51. Synthesis of Silver-doped Titanium Dioxide Nanotubes by Single Step Anodization for Enhanced Photodegradation of Acid Orange 52, Materials Science Forum, Volume 950 (2019) Pages 149-153, E. C. R. Lopez, J. D. Ocon, J. Perez

    Abstract:

    Silver-doped TiO2 nanotubes (Ag-TiNTs) were synthesized in a top-down approach by single-step anodization of titanium sheets. The highly-ordered array of Ag-TiNTs was confirmed by scanning electron microscopy with an average inner diameter of 41.28 nm and a wall thickness of 35.38 nm. Infrared spectroscopy confirmed the presence of O-Ti-O bonds. Analysis of the X-ray powder diffraction profiles showed the characteristic peaks for anatase and titanium for both pristine TiNTs and Ag-TiNTs. Ag-doping caused no observed changes in the crystalline structure of pristine TiNTs. High-definition X-ray fluorescence spectroscopy revealed that the synthesized Ag-TiNTs have 0.05 wt% Ag-loading. Even at low Ag-loading, the Ag-TiNTs were shown to be photo-active, achieving 10.13% degradation of Acid Orange 52 under UV illumination after 120 min.


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  • 50. One-Pot Hydrothermal Synthesis of Heteroatom co-doped with Flourine on Reduced Graphene Oxide for Enhanced ORR Activity and Stability in Alkaline Media, Materials Chemistry and Physics, Volume 236 (2019) Page 121804 (IF = 2.8), Y. Musico, N. Kakati, M. Labata, J. D. Ocon, P.-Y. A. Chuang

    Abstract:

    Boron (B) or nitrogen (N) was co-doped with fluorine (F) on reduced graphene oxide (rGO) using a low cost and simplified one-pot hydrothermal treatment method avoiding complicated technology, such as gas phase deposition or high temperature pyrolysis method. X-ray photoelectron microscopy spectra revealed successful doping of heteroatoms into the rGO. The Brunauer-Emmett-Teller (BET) results demonstrated that high surface areas of B‐F-rGO and N‐F-rGO are favorable for O2 adsorption. Electrochemical evaluations show that B‐F-rGO and N‐F-rGO catalysts have improved oxygen reduction reaction (ORR) catalytic performance in alkaline media compared to B-rGO and N-rGO. A Koutechy-Levich (KL) analysis and rotating ring disk electrode (RRDE) measurements suggest that both electrocatalysts dominantly favor a 4-electron reduction process. These heteroatoms co-doped with fluorine on rGO exhibit remarkable long-term ORR stability than the Pt/C. These improved electrochemical properties indicate that B‐F-rGO and N‐F-rGO are promising candidates as cost-effective electrode materials for energy related applications.


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  • 49. Interaction of CO, O, and CO2 with Cu cluster supported on Cu(111): A Density Functional Theory Study, Journal of Physics: Condensed Matter, Volume 31 (2019) Page 415201 (IF = 2.7), A. A. B. Padama, J. D. Ocon, H. Nakanishi, H. Kasai

    Abstract:

    We performed density functional theory (DFT) based calculations to investigate the interaction of CO2 and its dissociated species (CO and O) on Cu3 cluster supported on Cu(1 1 1) (Cu3/Cu(1 1 1)) surfaces. Similar investigations were conducted on Cu(1 1 1) for purpose of comparison. In general, adsorption of CO and O are stronger on the cluster region than on the terrace region of Cu3/Cu and on the flat Cu surface. CO2, on the other hand, is weakly adsorbed on the surfaces. With reference to CO2 dissociation on Cu(1 1 1), we found that the cluster lowers the activation barrier and provides a more stable adsorption of the dissociated species. The presence of co-adsorbed CO in the cluster, however, will increase the activation energy. The variation in the activation barrier with the amount of CO is influenced by the stability of the O atom from the dissociated CO2. We further found that the adsorption energy of O atom is a possible descriptor for CO2 dissociation on the cluster region. The Cu cluster supported on Cu surface could be a promising catalyst for CO2 related reactions based on the lower activation energy for CO2 dissociation on the system than on Cu(1 1 1).


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  • 48. On the Transferability of Smart Energy Systems on Islands using Cluster Analysis – A Case Study for the Philippine Archipelago, Applied Energy, Volume 251 (2019) Pages 113290 (IF = 8.2), H. Meschede, E. Esparcia, P. Holzapfel, R. C. Ang, A. C. Blanco, J. D. Ocon

    Abstract:

    Islands are highly diverse in their climatic, physical, social, and economic characteristics. Thus, each island’s energy system needs to be designed according to its specific features. However, similarities among islands exist which can enable the fast transfer of concepts and experiences with energy systems. In the Philippines, only few off-grid islands are incorporating smart energy systems through hybrid electricity systems. While most off-grid islands still do not have access to electricity, the majority of off-grid Philippine islands having access to electricity are powered primarily by diesel-fired generators. In this work, a cluster analysis is performed for 502 off-grid islands in the Philippine archipelago, classifying the islands according to their similarities in socio-economic and physical characteristics, and indigenous energy resource potential. The results show that most of the islands belong to five clusters of very small and small islands for which photovoltaic-battery systems would be the favourable backbone of a future energy system based on renewable energies. These islands show a varying level of feasibility for harnessing wind energy. In medium and big islands, opportunities of linking electricity systems to water supply and thermal energy loads as well as to the transport sector, are identified and their relevance in the clusters is discussed. The results are consistent with the validation of the individual characteristics of chosen off-grid islands. The cluster analysis results support policy makers and private investors in deciding which smart energy system projects are suitable for which particular islands.


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  • 47. Energy Transition from Diesel-based Solar Photovoltaics-Battery-Diesel Hybrid System-based Island Grids in the Philippines – Techno-Economic Potential and Policy Implication on Missionary Electrification, Journal of Sustainable Development of Energy, Water, and Environment Systems, Volume 7 (2019) Pages 139-154, J. D. Ocon, P. Bertheau

    Abstract:

    The cost of unsubsidized electricity in off-grid areas, particularly in the islands dependent on fossil fuels, is expensive. Previous studies and recent installations have proven that renewable energy-based hybrid systems could be suitable alternative to diesel power plants in island grids. In this comprehensive analysis of small island grids in the Philippines, results show that there is a huge economic potential to shift the diesel generation to solar photovoltaics-battery-diesel hybrid systems, with an average cost reduction of around 20% of the levelized cost of electricity. By encouraging private sector participation, hybridization could help provide electrification for twenty-four hours, stabilize the true cost of generation rate with less dependence on imported diesel prices, and reduce greenhouse gas emissions. Further, the declining cost of solar modules and batteries will significantly improve the economics of energy transition in the island grids.


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2018

  • 46. Moatomic oxygen adsorption on halogen-substituted monovacant graphene, International Journal of Hydrogen Energy, Volume 43 (2018) Pages 17673-17681 (IF = 4.3), R. M. Geronia II, A. B. Padama, M. N. Chong, P.-Y. A. Chuang, A., J. D. Ocon

    Abstract:

    Doping of graphene-based materials with heteroatoms relies on the disruption of existing charge densities found on pristine graphene. Even though it is known that this phenomenon helps catalyze oxygen reduction reaction (ORR), there are only a few theoretical studies regarding the use of halogen as dopants despite their high electronegativity differences with carbon. Using density functional theory calculations, this work explores the low-concentration halogenation of monovacant graphene as well as the adsorption of oxygen atom onto resulting halogen-based substrates (X = F, Cl, Br, I). In general, formation of doped graphene and the subsequent adsorption of monatomic oxygen is more favored in non-coplanar systems than in their coplanar counterparts. In addition, F-based systems exhibited the most favorable energetics for monoatomic adsorption and electronic properties among the four substrates. Electronegativity also plays a key role on the destruction and formation of molecular structures during the adsorption of monatomic oxygen. Further work with adsorption of O2 on these substrates is warranted to elucidate their potential to catalyze ORR.


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  • 45. Optimal Multi-Criteria Selection of Hybrid Energy Systems for Off-Grid Electrification, Chemical Engineering Transactions, Volume 70 (2018) Pages 367-372, J. D. Ocon, S. M. Cruz, M. T. Castro, K. Aviso, R. Tan, M. A. Promentilla

    Abstract:

    Energy poverty or lack of access to electricity is still a pressing development challenge worldwide particularly in archipelagic countries like the Philippines and Indonesia. As rural electrification in these remote areas through on-grid extension becomes costly, these communities typically resort to diesel-powered off-grid generators, characterized by high operating costs, unstable supply and price of fuel, and environmental issues. The deployment of clean energy alternatives is clearly needed, but these must be selected systematically using multiple but possibly conflicting criteria. Currently, the decision on which technology to use is derived based on the levelized cost of electricity primarily. In this illustrative case study, a novel multi-criteria decision-making methodology is proposed for the selection of the most appropriate energy system for the off-grid electrification of Marinduque Island. Eight technology combination options were evaluated using six criteria covering socio-economic, environmental, and technical aspects. Fuzzy AHP was used to derive weights of the criteria while addressing ambiguity and subjectivity of decision-makers. Performances of the technology options across different criteria were determined quantitatively via techno-economic simulations, or qualitatively via domain expert estimates. Grey Relational Analysis (GRA) was then used to aggregate the entire range of performance attributes of each alternative into a single score. Results indicate that system reliability and social acceptability are the most important criteria in selecting hybrid energy systems for off-grid electrification. Among the eight alternatives, the fuel saver (diesel-solar PV hybrid) and diesel-solar PV-Li-ion hybrid systems yield the highest performance scores. The prioritization was mainly affected by system reliability and social acceptability, indicating that decision making for the attainment of sustainable island energy supply should not be limited to technical and economic considerations only. This is consistent with the current worldwide trend of implementing the diesel-solar PV-Li-ion hybrid systems in off-grid areas, thus, validating the applicability of the facile methodology developed in this work.


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  • 44. Electrochemically-synthesized Tungstate Nanocomposites γ-WO3/CuWO4 and γ-WO3/NiWO4 Thin Films with Improved Band Gap and Photoactivity for Solar-driven Photoelectrochemical Water Oxidation, Journal of Alloys and Compounds, Volume 762 (2018) Pages 90-97 (IF = 3.1), T. Zhu, M. N. Chong, E. S. Chan, J. D. Ocon

    Abstract:

    The main aim of this study was to synthesize and characterise tungstate (WO3) nanocomposites with its metal-based nanostructures, such as copper (II) tungstate (CuWO4) and nickel tungsten oxide (NiWO4), as visible-light active thin film photoanodes for solar-driven photoelectrochemical (PEC) water oxidation. FE-SEM and AFM results showed that the bare as-deposited WO3 films were transformed into polycrystalline WO3 structure with highly agglomerated surfaces and roughness during the annealing-induced crystallisation process. XRD results suggested that the bare as-deposited WO3 films undergone phase transformation process from amorphous to the photoactive monoclinic-I (γ-WO3) at 550 ℃. XPS results indicated the existence of WO4, Ni2+ and Cu2+ ions at 35.58 eV, 856 eV and 932.4 eV, respectively. Through the formation of WO3 nanocomposites, the energy band gap was effectively lowered from 2.7 eV (γ-WO3) → 2.3 eV (γ-WO3/CuWO4) → 2.1 eV (γ-WO3/NiWO4) as estimated from the UV‐Vis spectra. Finally, the corresponding photoactivity of WO3 nanocomposites was estimated by measuring the photocurrent density and γ-WO3/NiWO4 nanocomposite structure was found to give the highest photocurrent density of 400 µA/cm2 at 1.5 V vs Ag/AgCl (4 M KCl).


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  • 43. Ammonium Vanadium Bronze (NH4V4O10) as a High-Capacity Cathode Material for Nonaqueous Magnesium-Ion Batteries, Chemistry of Materials, Volume 30 (2018) Pages 3690-3696 (IF = 9.5), E. Esparcia Jr., M. S. Chae, J. D. Ocon, S.-T. Hong

    Abstract:

    Magnesium-ion batteries (MIBs) offer improved safety, lower cost, and higher energy capacity. However, lack of cathode materials with considerable capacities in conventional nonaqueous electrolyte at ambient temperature is one of the great challenges for their practical applications. Here, we present high magnesium-ion storage performance and evidence for the electrochemical magnesiation of ammonium vanadium bronze NH4V4O10 as a cathode material for MIBs. NH4V4O10 was synthesized via a conventional hydrothermal reaction. It shows reversible magnesiation with an initial discharge capacity of 174.8 mAh g‐1 and the average discharge voltage of 2.31 V (vs Mg/Mg2+) using 0.5 M Mg(ClO4)2 in acetonitrile as the electrolyte. Cyclic voltammetry, galvanostatic, discharge‐charge, FTIR, XPS, powder XRD, and elemental analyses unequivocally show evidence for the reversible magnesiation of the material and suggest that keeping the ammonium ions in the interlayer space of NH4V4O10 could be crucial for the structural stability with a sacrifice of initial capacity but much enhanced retention capacity. This is the first demonstration of electrochemical magnesiation with a high capacity above 2 V (vs Mg/Mg2+) using a conventional organic electrolyte with a relatively low water concentration.


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  • 42. Synthesis and Characterization of a Novel Bilayer Tungsten Trioxide Nanojunction with Different Crystal Growth Orientation for Improved Photoactivity under Visible Light Irradiation, Journal of Alloys and Compounds, Volume 749 (2018) Pages 268-275 (IF = 3.1), T. Zhu, M. N. Chong, E. S. Chan, J. D. Ocon

    Abstract:

    The main aim of this study was to prove the concept and elucidate the effect of a bilayer tungsten trioxide (WO3) nanojunction with different crystal growth orientation for improved photoactivity under visible light irradiation. For the first time, the concept of a bilayer WO3 nanojunction with different crystal growth orientation was demonstrated. A layer-by-layer assembly for the bilayer WO3 nanojunction with the same monoclinic \xc9\xa3-WO3 crystal structure, but with two different crystal growth orientation of {002} at 600 ℃ and {200} at 500 ℃ was synthesized via the controlled electrodeposition-annealing method. Photocurrent measurements showed that the individual photoactivity of WO3 thin film with {002} crystal growth orientation was higher than that of WO3 thin film with {200} crystal growth orientation, while the bilayer WO3 nanojunction with different crystal growth orientation exhibited the highest photoactivity. To further characterise the bilayer WO3 nanojunction, X-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), high resolution-transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and photocurrent density measurements were performed. Based on the findings, a theoretical postulation model was proposed in explaining the transfer of photogenerated charge carriers in bilayer WO3 nanojunction that leads to improved photoactivity under visible light irradiation.


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  • 41. Electrochemical Oxidation Remediation of Real Wastewater Effluents – A Review, Process Safety and Environmental Protection, Volume 113 (2018) Pages 48-67 (IF = 2.9), S. Garcia-Segura, J. D. Ocon, C. M. Nan

    Abstract:

    Fate and health risks associated with persistent organic pollutants present in water effluents are one of the major environmental challenges of this century. In this paper, the electrochemical advanced oxidation process electrochemical oxidation is reviewed for its performance over the treatment of actual industrial and urban effluents. The electrochemical treatment of industrial effluents resulting from textile dyeing, petrochemical, paper mill, tannery industry as well as the treatment of domestic and urban wastewaters are discussed. Furthermore, the combination of electrochemical oxidation with other water treatment technologies as pre-treatment, post-treatment, and integrated treatment is also examined.


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2017

  • 40. Prospects of Electrochemically Sythesized Hematite Photoanodes for Photoelectrochemical Water Splitting: A Review, Journal of Photochemistry and Photobiology C: Photochemistry Reviews, Volume 169 (2017) Pages 236-244 (IF = 12.3), Y. W. Phuan, M. N. Chong, W.-J. Ong, J. D. Ocon

    Abstract:

    Hematite (α-Fe2O3) is found to be one of the most promising photoanode materials used for the application in photoelectrochemical (PEC) water splitting due to its narrow band gap energy of 2.1 eV, which is capable to harness approximately 40% of the incident solar light. This paper reviews the state-of-the-art progress of the electrochemically synthesized pristine hematite photoanodes for PEC water splitting. The fundamental principles and mechanisms of anodic electrodeposition, metal anodization, cathodic electrodeposition and potential cycling/pulsed electrodeposition are elucidated in detail. Besides, the influence of electrodeposition and annealing treatment conditions are systematically reviewed; for examples, electrolyte precursor composition, temperature and pH, electrode substrate, applied potential, deposition time as well as annealing temperature, duration and atmosphere. Furthermore, the surface and interfacial modifications of hematite-based nanostructured photoanodes, including elemental doping, surface treatment and heterojunctions are elaborated and appraised. This review paper is concluded with a summary and some future prospects on the challenges and research direction in this cutting-edge research hotspot. It is anticipated that the present review can act as a guiding blueprint and providing design principles to the scientists and engineers on the advancement of hematite photoanodes in PEC water splitting to resolve the current energy- and environmental-related concerns.


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  • 39. Effect of Adsorption Structures of Adsorbates (CO, COH, HCO) in Adsorbate-Induced Migration of Pd Atoms in PdCu(111), The Journal of Physical Chemistry C, Volume 121 (2017) Pages 17818-17826. (IF = 4.5), A. A. Padama, A. P. Cristobal, J. D. Ocon, W. Diño, H. Kasai

    Abstract:

    We investigated the arrangement of Pd atoms in PdCu(111) when CO, COH, and HCO are introduced as adsorbates, by performing density functional theory (DFT) based calculations. We modeled several Pd alloyed Cu(111) surfaces, i.e., PdCu(111), by substituting small numbers of Cu atoms with Pd atoms in the topmost and subsurface layers of Cu(111). The arrangement of Pd atoms in the presence of adsorbates is evaluated by comparing the energy profiles of adsorbate‐PdCu configurations with aggregated and nonaggregated surface and subsurface Pd atoms. In clean PdCu(111) surfaces, the Pd atoms prefer the nonaggregated arrangement. In the presence of the adsorbed molecules, however, we found that the Pd atoms will favor the aggregated configuration. CO and HCO adsorption structures are determined by the coordination of Pd atoms in the topmost layer. Their adsorption energies do not depend on the number of Pd atoms in the topmost layer alone but are also influenced by subsurface Pd atoms. On the other hand, COH is always stable on the fcc hollow site but will prefer a higher number of Pd atoms in the topmost layer. We therefore conclude that the adsorption structure of the molecules influences the arrangement of Pd atoms in PdCu surfaces.


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  • 38. A Novel Ternary Nanostructured Carbonaceous-Metal-Semiconductor eRGO/NiO/α-Fe2O3 Heterojunction Photoanode with Enhanced Charge Transfer Properties for Photoelectrochemical Water Splitting, Solar Energy Materials and Solar Cells, Volume 169 (2017) Pages 236-244 (IF = 4.6), Y. W. Phuan, M. N. Chong, J. D. Ocon, E. S. Chan

    Abstract:

    A novel ternary hematite (α-Fe2O3)-based nanostructured photoanode with excellent photoelectrochemical (PEC) performance consisting of 2D-electrochemical reduced graphene oxide (eRGO) and nickel oxide (NiO) was successfully developed through electrodeposition synthesis method. Surface morphology studies showed that the flexible eRGO sheets provided intimate and coherent interfaces between α-Fe2O3, NiO, and eRGO that enhanced charge transfer properties and thus, lowering the recombination rate of photogenerated electron-hole pairs. The incorporation of eRGO and NiO has also endowed α-Fe2O3 nanostructured photoanode with a wider spectral absorption range, where the light absorption intensities in the visible light and near infrared regions were improved. Electrochemical impedance spectroscopy analysis further confirmed that the ternary eRGO/NiO/α-Fe2O3 nanostructured photoanode possessed the lowest charge transfer resistance among all as-synthesized photoanodes. This indicates that the combinatorial effects of eRGO and NiO could improve the electron mobility and prolong the recombination process of photogenerated charge carriers that result in enhanced PEC performance. In this instance, the eRGO sheets act as surface passivation layer and electron transporting bridge that increase the electrons transfer at the semiconductor/liquid junction. Whilst NiO serves as hole scavenger that also effectively hinders the recombination of photogenerated electron-hole pairs, and provides electron donor centres that accelerate the interfacial charge transfer. Finally, the hydrogen evolution rate from the ternary eRGO/NiO/α-Fe2O3 nanostructured photoanode was measured to be 92 µmol h-1 cm-2, which was about 3-fold higher than bare α-Fe2O3 nanostructured photoanode. It is expected that the fundamental understanding gained through this study is helpful for the rational design and construction of highly efficient ternary nanostructured heterojunction photoanodes for application in PEC water splitting.


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  • 37. Exploring Novel Dopants in Graphene: Unique Properties, Group Trends, and New Insights from DFT for Electrocatalytic Applications, ECS Transactions, Volume 77 (2017) Page 1383, J. D. Ocon, A. C. F. Serraon, W. J. Futalan, R. M. Geronia II, A. A. B. Padama

    Abstract:

    This exploration on various new dopants for graphene and graphitic carbon nitride through ab-initio density functional theory (DFT) calculations was able to predict feasible structural configurations for these doped systems. Emergent electronic and magnetic properties have been predicted for these new classes of carbon-based two dimensional nanomaterials. In particular, alkaline-earth doped graphenes and halogen doped graphenes were qualitatively found to have potential as catalysts for the oxygen reduction reaction (ORR) due to their favorable electronic and magnetic properties as indicated by previous studies.


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  • 36. Quantum Chemical Predictions on Alkaline-Earth Doped Graphene: A Density Functional Theory based Investigation for a Novel Class of Carbon-based Two-Dimensional Nanomaterials Toward Electrochemical, Catalytic, and Electronic Applications, ECS Transactions, Volume 77 (2017) Page 629, A. C. F. Serraon, J. A. D. del Rosario, A. A. B. Padama, J. D. Ocon

    Abstract:

    Predictions for the physical, chemical, electronic and magnetic properties of alkaline earth doped graphenes (AE-graphenes) were performed using density functional theory (DFT) calculations. Alkaline earth doping in graphene is feasible based on the adsorption energy, with alkaline earth dopants tending to adopt a nonplanar configuration when substitutionally doped in graphene. Electron transfer from the dopant atom to the graphene substrate was determined to be the primary mode of interaction within the system. Magnetic properties were also predicted for most of the AE-graphenes, with Mg-, Sr- and Ba-graphenes having ferromagnetic properties and Ca-graphene having ferrimagnetic properties. Previous DFT studies on Be-graphene were also successfully replicated and verified by this study. The unique emergent properties (i.e. electronic conductivity, spin polarization, local charge differences) of AE-graphene is promising for various applications such as catalytic, electrochemical, and electronics.


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  • 35. CoMn2O4 Anchored on N-Doped High-Dimensional Hierarchical Porous Carbon Derived from Biomass for Bifunctional Oxygen Electrocatalysis, ECS Transactions, Volume 77 (2017) Page 525, J. L. Digol, M. F. M. Labata, M. F. Divinagracia, J. D. Ocon

    Abstract:

    There is an emerging interest in developing bifunctional oxygen electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), being key electrochemical reactions that govern the overall performance of unitized regenerative fuel cells and rechargeable metal-air batteries. However, such undertaking has been a huge challenge due to the high cost of noble metals (e.g. Pt, Ir) and their stability when used as catalysts. Herein, we report CoMn2O4 embedded on three-dimensional (3D) hierarchical porous carbon (HPC) derived from waste corn cobs as a possible noble metal-free bifunctional electrocatalyst. The hybrid catalyst is fabricated by solvothermal reaction of as-prepared N-doped 3DHPC and CoMn2O4. The template-free approach in preparing N-3DHPC ensures ample nitrogen doping using melamine to improve electronic conductivity of carbon and formation of three-dimensional, interconnected pore network, which is favorable for CoMn2O4 crystal dispersion. The same hybrid material also presents good OER activity, rendering an active and inexpensive dual-function electrocatalyst.


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  • 34. A First-Principles Study on the Electronic and Structural Properties of Halogen-Substituted Graphene, ECS Transactions, Volume 77 (2017) Page 1383, R. M. Geronia II, A. C. Serraon, A. A. B. Padama, J. D. Ocon

    Abstract:

    In this work, we explore the properties of halogen-substituted graphene through density functional theory (DFT) calculations. Energetics and charge analysis calculations show that fluorine (F)-doped systems exhibit favorable properties like negative adsorption energies and consistent electron withdrawal ability. In addition, the densities of states (DOS) of systems involving secondarily bonded fluorine show Dirac cone-like structures below and F-1s/2px/2py-associated peaks above the Fermi level. Further work with spin polarization, nudged elastic band, and oxygen adsorption calculations is recommended to assess the potential of the above-mentioned F-based systems for synthesis and oxygen reduction reaction (ORR) activity.


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  • 33. S-Doped Graphitic Carbon Nitride as Potential Catalyst towards Oxygen Reduction Reaction, ECS Transactions, Volume 77 (2017) Page 621, W. J. C. Futalan, A. C. Serraon, A. A. B. Padama, J. D. Ocon

    Abstract:

    Graphitic carbon nitride (GCN) is a polymeric material, which consists of carbon and nitrogen connected via tri-s-triazine-based patterns. By performing density functional theory (DFT) based study, we show that substitutional doping of various nitrogen sites by sulfur resulted in modification not only in terms of geometry of GCN but also in its electronic properties. In particular, it was shown that depending on the location of the dopant, sulfur can either donate or withdraw electrons from its neighboring carbon atoms. This property can be utilized to tune the electronic properties of graphitic carbon nitride to allow the optimum adsorption of oxygen on the catalyst surface.


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  • 32. Carbon Dioxide (CO2) Electrocatalytic Recycling on Electrodeposited Nanostructured Copper-Gold Electrodes, ECS Transactions, Volume 77 (2017) Page 1433, K. A. Gandionco, D. T. Sua-an, J. D. del Rosario, J. D. Ocon

    Abstract:

    Electrocatalytic recycling of carbon dioxide provides an ideal storage medium for renewable energy sources while off-setting the emissions of CO2 into the environment. It requires, however, an appropriate electrocatalyst to efficiently produce valuable organic molecules. In this study, electrodeposited nanostructured Cu-Au alloys were used as electrocatalysts for CO2 reduction. XRD and EDS mapping confirmed the deposition of Cu and Au. On the other hand, cyclic voltammetry verifies the activity of the fabricated catalysts towards CO2 reduction.


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  • 31. Formation of Ni(OH)2 hybrid structures on carbon cloth, IOP Conference Series: Materials Science and Engineering, Volume 210 (2017), L. A. Dahonog, J. D. Ocon, M. D. L. Balela

    Abstract:

    Nickel hydroxide [Ni(OH)2] structures were successfully grown on carbon cloth via hydrothermal treatment followed by annealing. The Ni(OH)2 structures grown on carbon cloth were characterized using X-Ray Diffraction (XRD) and Scanning Electron Microscope (SEM) analysis. XRD analysis revealed the formation of α and β phases of Ni(OH)2. Microflowers and interconnected grass-like particles were observed on the surface of the carbon cloth. The as-prepared sample could be a promising material for the fabrication of high energy storage devices because of its unique structures.


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  • 30. Pseudocapacitive Behaviour of Ni(OH)2/NiO Hierarchical Structures Grown on Carbon Fiber Paper, Solid State Phenomena, Volume 266 (2017) Pages 177-181, L. A. Dahonog, J. D. Ocon, M. D. L. Balela

    Abstract:

    Transition metal oxides and hydroxides, specifically nickel (Ni), are currently being studied for their pseudocapacitive behaviors due to their high specific capacitance and efficient redox reactions. In this study, nickel oxide (NiO) and nickel hydroxide [Ni (OH)2] hierarchical structures were grown on carbon fiber paper via hydrothermal treatment for a binder-free electrode for pseudocapacitor. Cyclic voltammetry was employed to determine the influence of annealing temperature on the specific capacitance of NiO-and/or Ni (OH)2 ‐ carbon fiber electrodes. The NiO ‐ carbon fiber electrode annealed at 400℃ exhibited the highest specific capacitance of about 1993.12 F/g at a scan rate of 2 mV/s. The carbon fibers were fully covered by NiO platelets which possibly provide efficient transport of electrolyte, enhancing the capacitance.


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  • 29. Employing Electrochemical Reduced Graphene Oxide as a Co-Catalyst for Synergistically Improving the Photoelectrochemical Performance of Nanostructured Hematite Thin Films, Taiwan Institute of Chemical Engineers, Volume 71 (2017) Pages 510-517 (IF = 3.0), Y. W. Phuan, M. N. Chong, T. Zhu, J. D. Ocon, E. S. Chan

    Abstract:

    In this study, a series of electrochemical reduced graphene oxide (eRGO)-hematite nanocomposites were developed through a facile and environmental benign two-step electrodeposition method with high photoelectrochemical (PEC) performance. The resulting nanocomposites formed an intimate contact between the eRGO and hematite interface as supported by the field emission-scanning electron microscopy (FE-SEM) analysis. A remarkable 8-fold enhancement in the photocurrent density was observed on the eRGO-hematite-4 nanocomposite (using 2.0 mg/ml GO precursor) relative to the bare hematite under light irradiation. This improvement is ascribed to the finely controlled eRGO sheets that enhance the light absorption, increase PEC active surface area of hematite, improve efficient transfer of the photoinduced electrons from the conduction band of hematite to eRGO sheets and as a result leads to a minimised electron‐hole pairs recombination rate. This was further evidenced with impedance characteristics, where the obtained surface charge resistance values of eRGO-hematite-4 nanocomposite are much lower than the bare hematite, revealing an efficient charge transfer step to impede the charge recombination. Lastly, a postulated mechanism for the PEC process associated with eRGO-hematite nanocomposite was presented.


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  • 28. In situ Ni-Doping During Cathodic Electrodeposition of Hematite for Excellent Photoelectrochemical Performance of Nanostructured Nickel Oxide-Hematite P-N Junction Photoanode, Applied Surface Science, Volume 392 (2017) Pages 144-152 (IF = 3.2), Y. W. Phan, M. E. Ibrahim, M. N. Chong, T. Zhu, B.-K. Lee, J. D. Ocon, E. S. Chan

    Abstract:

    Nanostructured nickel oxide-hematite (NiO/α-Fe2O3) p-n junction photoanodes synthesized from in situ doping of nickel (Ni) during cathodic electrodeposition of hematite were successfully demonstrated. A postulation model was proposed to explain the fundamental mechanism of Ni2+ ions involved, and the eventual formation of NiO on the subsurface region of hematite that enhanced the potential photoelectrochemical water oxidation process. Through this study, it was found that the measured photocurrent densities of the Ni-doped hematite photoanodes were highly dependent on the concentrations of Ni dopant used. The optimum Ni dopant at 25 M% demonstrated an excellent photoelectrochemical performance of 7-folds enhancement as compared to bare hematite photoanode. This was attributed to the increased electron donor density through the p-n junction and thus lowering the energetic barrier for water oxidation activity at the optimum Ni dopant concentration. Concurrently, the in situ Ni-doping of hematite has also lowered the photogenerated charge carrier transfer resistance as measured using the electrochemical impedance spectroscopy. It is expected that the fundamental understanding gained through this study is helpful for the rational design and construction of highly efficient photoanodes for application in photoelectrochemical process.


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2016

  • 27. Dip-Coating Synthesis of Iron Boride for Direct Usage as Anode Electrode in Metal/Metalloid-Air Battery, Current Applied Physics, Volume 16 (2016) Pages 1075-1080 (IF = 2.2), G. H. A. Abrenica, J. D. Ocon, J. Lee

    Abstract:

    Multi-electron reaction anodes have been exciting battery materials due to their exceptionally high energy densities. Herein, nanostructured iron borides (nanoFeB) have been synthesized via dip-coating chemical reduction in conjunction with a heat treatment procedure and were directly used as anodes in a metal/metalloid-air battery. The crystal structure, particle size, BET surface area, and electrochemical properties of iron boride samples treated at four different temperature conditions (200 ℃, 300 ℃, 400 ℃, and 500 ℃) were investigated using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), N2 adsorption-desorption isotherms, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS). The nanoFeB heat-treated at 300 ℃ (nanoFeB300) exhibits the highest surface area among reported values in literature and demonstrates excellent anode discharge performance in a metal/metalloid-air battery.


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  • 26. Effects of Electrodeposition Synthesis Parameters on the Photoactivity of Nanostructured Tungsten Triooxide Thin Films: Optimisation Study using Response Surface Methodology, Journal of the Taiwan Institute of Chemical Engineers, Volume 61 (2016) Pages 196-204 (IF = 3.0), T. Zhu, Y. J. Phuan, E. Chan, J. D. Ocon, C. M. Nan

    Abstract:

    The main aim of this study was to synthesize and characterise nanostructured tungsten trioxide (WO3) thin films via electrodeposition and subsequently, optimise the electrodeposition synthesis parameters using response surface methodology (RSM). Statistical Box‐Behnken RSM design was used to investigate and optimise the effects of four independent electrodeposition synthesis parameters, namely: deposition time, precursor tungsten (W) concentration, annealing temperature and pH. In addition, the synergistic interaction between different electrodeposition synthesis parameters was identified and quantified in enabling a higher photoactivity achievable by nanostructured WO3 thin films. Resultant nanostructured WO3 thin films were characterised using field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD) and photocurrent density measurements under one-Sun irradiation. From the electrodeposition synthesis process, it was found that there was a gradual increase in the nanocrystallites WO3 size from 30 nm to 70 nm when the annealing temperature was varied between 400 ℃ and 600 ℃. XRD results verified the existence of the same photoactive phase of monoclinic WO3 with increasing annealing temperature with the preferred growth orientation along the {002} planar. Whilst from the Box‐Behnken RSM design, it was found that the optimum deposition time, precursor W concentration, annealing temperature and pH were: 60 min, 0.15 mol/L, 600 ℃, and pH 1.0, respectively. The highest photocurrent density of 120 \xc2\xb5A/cm2 was measured at 1 V (versus Ag/AgCl) for nanostructured WO3 thin film synthesized at the optimum conditions as informed by the Box‐Behnken RSM. Further analysis and validation of the Box‐Behnken RSM model using analysis of variance (ANOVA) revealed that the RSM-derived statistical predictive model was robust, adequate and representative to correlate the various electrodeposition synthesis parameters to photocurrent density. This study highlights the importance to systematically optimise the electrodeposition synthesis parameters in order to achieve a higher photocurrent density on nanostructured WO3 thin film for sustainable hydrogen production from photoelectrochemical water splitting reaction.


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  • 25. High Power Density Semiconductor-Air Batteries Based on P-Type Ge with Different Crystal Orientations, ChemElectroChem (2016) Pages 242-246 (IF = 4.1)

    Abstract:

    The quasi-perpetual discharge behavior of Ge anodes in semiconductor‐air batteries was first demonstrated in our previous studies, marked by high anode utilization and a flat discharge profile over long-term discharge operation. In this Article, we show the crystal orientation dependence of the discharge behavior of p-type Ge anodes. In general, p-type Ge anodes at the low-index crystal indices could operate in the milliampere-scale current range and at high power densities, in stark contrast to the current-limited operation of Si‐air batteries.


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  • 24. Electrode Architecture for Galvanic and Electrolytic Energy Cells, Angewandte Chemie International Edition, Angewandte Chemie International Edition, Volume 55 (2016) Pages 2-13 (IF = 11.3), J. D. Ocon, B. Jeong, J. Lee

    Abstract:

    Electrodes in galvanic and electrolytic energy cells are complicated structures comprising redox-active materials, ionic/electronic conductors, and porous pathways for mass transfer of reactants. In contrast to breakthroughs in component development, methods of optimizing whole-system architectural design to draw maximum output have not been well explored. In this Minireview, we introduce generalized types of electrode architecture, discuss fabrication strategies, and characterize already built structures. Systematic efforts to discover optimal electrode configurations will resolve long-standing discrepancies that arise between whole systems and the sums of their parts for a number of electrochemical reactions and technologies.


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2015

  • 23. Enhanced Electrical and Mass Transfer Characteristics of Acid-Treated Carbon Nanotubes for Capacitive Deionization, Current Applied Physics, Volume 15 (2015) Pages 1539-1544 (IF = 2.2), S. Chung, H. Kang, J. D. Ocon, J. K. Lee, J. Lee

    Abstract:

    Capacitive deionization (CDI) has attracted significant attention for the next generation water treatment due to its low energy consumption and environment friendly properties in comparison to widely established methods. For CDI technology to move forward, however, the development of carbon electrodes having superb electrosorption behavior is essential. In this study, we demonstrate the functionalization of carbon nanotubes (CNTs) via acid treatment shows enhanced electrochemical characteristics and effectively improves the wettability of the acid-treated CNTs (a-CNTs) via the addition of oxygen functional groups, leading to a higher electric double layer capacitance. Furthermore, defect formation in a-CNTs increases the conductivity and decreases the mass transfer resistance during CDI operation. CDI measurements confirmed a 270% increase in performance of a-CNTs in contrast to pristine CNTs (p-CNTs), attributable to the improved characteristics outlined above.


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  • 22. Direct Power Generation from Waste Coffee Grounds in a Biomass Fuel Cell, Journal of Power Sources, Volume 296 (2015) Pages 433-439 (IF= 6.2), H. Jang, J. D. Ocon, S. Lee, Y.-I. Son, J. Lee

    Abstract:

    We demonstrate the possibility of direct power generation from waste coffee grounds (WCG) via high-temperature carbon fuel cell technology. At 900 ℃, the WCG-powered fuel cell exhibits a maximum power density that is twice than carbon black. Our results suggest that the heteroatoms and hydrogen contained in WCG are crucial in providing good cell performance due to its in-situ gasification, without any need for pre-reforming. As a first report on the use of coffee as a carbon-neutral fuel, this study shows the potential of waste biomass (e.g. WCG) in sustainable electricity generation in fuel cells.


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  • 21. An Optimized Mild Reduction Route Towards Excellent Cobalt-Graphene Catalysts for Water Oxidation, RSC Advances, Volume 5 (2015) Pages 64858-64864 (IF = 3.8), J. D. Ocon, D. Phihusut, J. Lee

    Abstract:

    Low cost yet efficient water oxidation catalysts are crucial in making economically competitive water electrolyzers and secondary metal‐air batteries. In this study, we demonstrate the optimized mild reduction of graphene oxide towards the synthesis of highly active and stable cobalt‐graphene electrocatalysts for water oxidation. Contrary to the conventional use of fully reduced graphene oxide (RGO) as a composite material in electrocatalysis, our results suggest that the oxygen functional groups, which are retained during mild GO reduction, are crucial in the formation of cobalt oxalate (CoC2O4) microstructures. Gently reduced graphene oxide (gRGO) with a low degree of reduction results in CoC2O4/gRGO microrods with impressive water oxidation activity, reaching current densities 21.1% higher than conventional iridium oxide-based catalysts and 70.5% more than the unoptimized CoC2O4/gRGO catalysts. Mild reduction of GO favors the homogeneous formation of microstructures via the negatively-charged functional groups, which attract the positive Co ions and lead to a stronger chemical interaction between the two components. This work points towards investigating and reevaluating the role of the degree of GO reduction on graphene\’s contribution to the composition and catalytic activity of metal‐graphene composites.


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  • 20. Improvement of Energy Capacity with Vitamin C Treated Dual-Layered Graphene‐Sulfur Cathodes in Lithium‐Sulfur Batteries, ChemSusChem, Volume 8 (2015) Pages 2883-2891, J. W. Kim, J. D. Ocon, H.-S. Kim, J. Lee

    Abstract:

    A graphene-based cathode design for lithium‐sulfur batteries (LSB) that shows excellent electrochemical performance is proposed. The dual-layered cathode is composed of a sulfur active layer and a polysulfide absorption layer, and both layers are based on vitamin C treated graphene oxide at various degrees of reduction. By controlling the degree of reduction of graphene, the dual-layered cathode can increase sulfur utilization dramatically owing to the uniform formation of nanosized sulfur particles, the chemical bonding of dissolved polysulfides on the oxygen-rich sulfur active layer, and the physisorption of free polysulfides on the absorption layer. This approach enables a LSB with a high specific capacity of over 600 mAh gsulfur-1 after 100 cycles even under a high current rate of 1C (1675 mA gsulfur-1). An intriguing aspect of our work is the synthesis of a high-performance dual-layered cathode by a green chemistry method, which could be a promising approach to LSBs with high energy and power densities.


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  • 19. Ultrahigh Purification in Concentrated NaOH by Electrowinning for Solar Cell Application, Separation and Purification Technology, Volume 145 (2015) Pages 24-28 (IF = 3.1), J. Joo, J. Kim, J. W. Kim, J. K. Lee, J. D. Ocon, W. Chang, J. Lee

    Abstract:

    High purity sodium hydroxide (NaOH) solution is extremely important in the large-scale manufacturing of impurity-free silicon (Si) wafers for solar cells. In this paper, we demonstrate the purification of highly concentrated NaOH via electrowinning. By optimizing temperature, current density, and the type of electrode for both anodes and cathodes, we maximized the selectivity toward cathodic deposition of Fe and Ni. Our results suggest that removal of metal impurities in the concentrated 50 wt.% NaOH is highly dependent on the reactor temperature (>90 ℃) due to enhanced reaction kinetics and decreased solution viscosity. Meanwhile, current density has limited effect on the metal removal efficiency. We further demonstrate that the cathodic deposition of Fe and Ni strongly relies on the type of electrode pair used, with platinum (Pt) and nickel (Ni) as the anode and cathode, respectively, exhibiting the best removal performance. The good electrochemical performance arises from the high catalytic activity of Pt anode and good stability of Ni cathode from the highly corrosive concentrated alkaline conditions. Following these results, we recommend future scientific and technical studies on the use of electrowinning as a possible alternative to the costly membrane-based purification techniques.


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  • 18. Controlled Electrochemical Etching of Nanoporous Si Electrodes and its Discharge Characteristics in Alkaline Si-Air Batteries, ACS Applied Materials & Interfaces, Volume 7 (2015) Pages 3126-3132 (IF = 6.7), D.-W. Park, S. Kim, J. D. Ocon, G. H. A. Abrenica, J. K. Lee, J. Lee

    Abstract:

    We report the fabrication of nanoporous silicon (nPSi) electrodes via electrochemical etching to form a porous Si layer with controllable thickness and pore size. Varying the etching time and ethanolic HF concentration results in different surface morphologies, with various degrees of electrolyte access depending on the pore characteristics. Optimizing the etching condition leads to well-developed nPSi electrodes, which have thick porous layers and smaller pore diameter and exhibit improved discharge behavior as anodes in alkaline Si‐air cells in contrast to flat Si anode. Although electrochemical etching is effective in improving the interfacial characteristics of Si in terms of high surface area, we observed that mild anodization occurs and produces an oxide overlayer. We then show that this oxide layer in nPSi anodes can be effectively removed to produce an nPSi anode with good discharge behavior in an actual alkaline Si‐air cell. In the future, the combination of high surface area nPSi anodes with nonaqueous electrolytes (e.g., room-temperature ionic liquid electrolyte) to minimize the strong passivation behavior and self-discharge in Si could lead to Si‐air cells with a stable voltage profile and high anode utilization.


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  • 17. Alkaline CO2 Electrolysis toward Selective and Continuous HCOO– Production over SnO2 Nanocatalysts, The Journal of Physical Chemistry C, Volume 119 (2015) Pages 4884-4890 (IF = 4.8), S. Lee, J. D. Ocon, Y.-I. Son, J. Lee

    Abstract:

    Electrolyte pH is an important parameter in determining the equilibrium concentrations of the carbon dioxide‐bicarbonate‐carbonate system as well as in mapping out the thermodynamically stable phases of tin dioxide (SnO2) in an aqueous electrochemical system. Thus, we explored an optimized region in the combined potential‐pH (E‐pH) diagram of the two systems where there is a simultaneously high catalytic activity for carbon dioxide (CO2) electrolysis and good phase stability for the SnO2 nanocatalysts. Our results suggest that choosing the right E‐pH combination, which in this case issup>0.6 V (vs RHE) and pH 10.2, results in a high faradaic efficiency of 67.6% for formate (HCOO‐) synthesis and an efficiency retention of 90% after 5 h while maintaining the stability of the oxide structure and avoiding the formation of carbon monoxide. Widely applicable to neutral or near-neutral pH metal oxide electrocatalysts, optimized alkaline CO2 electrolysis offers distinct advantages in terms of the three major catalyst properties: activity, selectivity, and stability.


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  • 16. Diagnosis of the Measurement Inconsistencies of Carbon-Based Electrocatalysts for the Oxygen Reduction Reaction in Alkaline Media, RSC Advances, Volume 5 (2015) Pages 1571-1580 (IF = 3.8), D. Shin, M. H. Choun, B. Jeong, J. D. Ocon, J. Lee

    Abstract:

    Finding inexpensive alternative catalysts for the oxygen reduction reaction (ORR) is considered as one of the most overriding challenges in the development of electrochemical technologies. Although significant progress has been made in developing carbon-based ORR catalysts, there is difficulty in judging improvements in the catalysts due to the inconsistent results arising from differences in experimental conditions. In this review, we provide a diagnosis of the influence of key factors in the measured ORR activity of catalysts. Knowing the exact conditions when measuring ORR activity is of paramount importance in establishing a reference for relevant comparison of ORR performance in developed catalysts.


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  • 15. Insights into an autonomously formed oxygen-evacuated Cu2O electrode for the selective production of C2H4 from CO2, Physical Chemistry Chemical Physics, Volume 17 (2015) Pages 824-830, D. Kim, S. Lee, J. D. Ocon, B. Jeong, J. K. Lee, J. Lee

    Abstract:

    Electrochemical conversion of carbon dioxide (CO2) to small organic fuels (e.g. formate, methanol, ethylene, ethanol) is touted as one of the most promising approaches for solving the problems of climate change and energy security. In this study, we report the highly efficient electrochemical reduction of CO2 using cuprous oxide (Cu2O) electrodes to produce ethylene (C2H4) primarily. During CO2 electrolysis using electrodeposited Cu2O on a carbon electrode, we observe the transformation of a compact metal oxide layer to a metal oxide structure with oxygen vacant sites at the bulk region. In contrast to previous studies, our results clearly indicate that Cu2O remains at the surface of the catalyst and it efficiently catalyzes the conversion process of CO2 at low overpotential, exhibiting a high selective faradaic efficiency of over 20% towards C2H4 formation even in long-term electrolysis.


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2014

  • 14. Enhancing Role of Nickel in Nickel-Palladium Bilayer for Electrocatalytic Oxidation of Ethanol in Alkaline Media, The Journal of Physical Chemistry C, Volume 118 (2014) Pages 22473-22478 (IF = 4.8), J. A. del Rosario, J. D. Ocon, H. Jeon, Y. Yi, J. K. Lee, J. Lee

    Abstract:

    Direct ethanol fuel cells (DEFCs) have been widely studied because of their potential as a high-energy density and low-toxicity power source of the future. Suitable catalysts for the anode reaction, however, are necessary to fully utilize the advantages of DEFCs. In this paper, we fabricated nickel (Ni)‐palladium (Pd) bimetallic catalysts with a bilayer structure, using sputtering deposition on a titanium (Ti) foil substrate, and investigated the activity and stability of the catalysts toward ethanol electro-oxidation in alkaline media. Our results suggest that while Pd is the active component and Ni has negligible activity toward ethanol oxidation, Ni-modified Pd (NiPd/Ti) provides the best activity in comparison to PdNi/Ti and the monometallic catalysts. In fact, optimizing the Ni amount could lead to a highly active and stable bimetallic electrocatalyst because of Ni’s ability to increase the active surface area of the Pd layer, provide hydroxyl species to replenish the active sites, and act as a protective layer to the Pd. Overall, these results provide a better understanding on the role of Ni in bimetallic catalysts, especially in a bilayer configuration, to allow the use of an ethanol oxidation reaction (EOR)-active electrocatalyst with a much lower Pd content.


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  • 13. Carbon Electrodes in Capacitive Deionization Process, Applied Chemistry for Engineering, Volume 25 (2014) Pages 346-351, S. Chung, J. K. Lee, J. D. Ocon, Y.-I. Son, J. Lee

    Abstract:

    With the world population`s continuous growth and urban industrialization, capacitive deionization (CDI) has been proposed as a next-generation water treatment technology to augment the supply of water. As a future water treatment method, CDI attracts significant attention because it offers small energy consumption and low environmental impact in comparison to conventional methods. Carbon electrodes, which have large surface area and high conductivity, are mainly used as electrode materials of choice for the removal of ions in water. A variety of carbon materials have been investigated, including their adsorption-desorption behavior in accordance to the specific surface area and pore size distribution. In this review, we analyzed and highlighted these carbon materials and looked at the impact of pore size distribution to the overall CDI efficiency. Finally, we propose an optimal condition in the interplay between micropores and mesopores in order to provide the best electrosorption property for these carbon electrodes.


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  • 12. Quasi-Perpetual Discharge Behaviour in P-Type Ge-Air Batteries, Physical Chemistry Chemical Physics, Volume 16 (2014) Pages 22487-22494, J. D. Ocon, J. W. Kim, G. H. Abrenica, J. K. Lee, J. Lee

    Abstract:

    Metal‐air batteries continue to become attractive energy storage and conversion systems due to their high energy and power densities, safer chemistries, and economic viability. Semiconductor‐air batteries ‐ a term we first define here as metal‐air batteries that use semiconductor anodes such as silicon (Si) and germanium (Ge) ‐ have been introduced in recent years as new high-energy battery chemistries. In this paper, we describe the excellent doping-dependent discharge kinetics of p-type Ge anodes in a semiconductor‐air cell employing a gelled KOH electrolyte. Owing to its Fermi level, n-type Ge is expected to have lower redox potential and better electronic conductivity, which could potentially lead to a higher operating voltage and better discharge kinetics. Nonetheless, discharge measurements demonstrated that this prediction is only valid at the low current regime and breaks down at the high current density region. The p-type Ge behaves extremely better at elevated currents, evident from the higher voltage, more power available, and larger practical energy density from a very long discharge time, possibly arising from the high overpotential for surface passivation. A primary semiconductor‐air battery, powered by a flat p-type Ge as a multi-electron anode, exhibited an unprecedented full discharge capacity of 1302.5 mA h gGe-1 (88% anode utilization efficiency), the highest among semiconductor‐air cells, notably better than new metal‐air cells with three-dimensional and nanostructured anodes, and at least two folds higher than commercial Zn‐air and Al‐air cells. We therefore suggest that this study be extended to doped-Si anodes, in order to pave the way for a deeper understanding on the discharge phenomena in alkaline metal‐air conversion cells with semiconductor anodes for specific niche applications in the future.


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  • 11. Gently Reduced Graphene Oxide Incorporated into Cobalt Oxalate Structures as an Oxygen Electrocatalyst, Electrochimica Acta, Volume 140 (2014) Pages 404-411 (IF = 4.5), D. Phihusut, J. D. Ocon, B. Jeong, J. K. Lee, J. Lee

    Abstract:

    Water-oxygen electrochemistry is at the heart of key renewable energy technologies (fuel cells, electrolyzers, and metal-air batteries) due to the sluggish kinetics of oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Although much effort has been devoted to the development of improved bifunctional electrocatalysts, an inexpensive, highly active oxygen electrocatalyst, however, remains to be a challenge. In this paper, we present a facile and robust method to create gently reduced graphene oxide incorporated into cobalt oxalate microstructures (CoC2O4/gRGO) and demonstrate its excellent and stable electrocatalytic activity in both OER and ORR, arising from the inherent properties of the components and their physicochemical interaction. Our synthesis technique also explores a single pot method to partially reduce graphene oxide and form CoC2O4 structures while maintaining the solution processability of reduced graphene oxide. While the OER activity of CoC2O4/gRGO is exclusively due to CoC2O4, which transformed into OER-active Co species, the combination with gRGO significantly improves OER stability. On the other hand, CoC2O4/gRGO exhibits synergistic effect towards ORR, via a quasi-four-electron pathway, leading to a slightly higher ORR limiting current than Pt/C. Remarkably, gRGO offers dual functionality, contributing to ORR activity via the N-functional groups and also enhancing OER stability through the gRGO coating around CoC2O4 structures. Our results suggest a new class of metal-carbon composite that has the potential to be alternative bifunctional catalysts for regenerative fuel cells and metal-air batteries.


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  • 10. Electrocatalytic Oxygen Evolution Reaction of FeNi Composite in a Carbon Nanofiber Matrix in Alkaline Media, Chinese Journal of Catalysis, Volume 35 (2014) Pages 891-895 (IF = 1.9), X. Ahn, D. Shin, J. D. Ocon, J. K. Lee, J. Lee

    Abstract:

    Non-noble metals such as Fe and Ni have comparable electrocatalytic activity and stability to that of Ir and Ru in an oxygen evolution reaction (OER). In this study, we synthesized carbon nanofibers with embedded FeNi composites (FeNi-CNFs) as OER electrocatalysts by a facile route comprising electrospinning and the pyrolysis of a mixture of metal precursors and a polymer solution. FeNi-CNFs demonstrated catalytic activity and stability that were better than that of 20 wt% Ir on Vulcan carbon black in oxidizing water to produce oxygen in an alkaline media. Physicochemical and electrochemical characterization revealed that Fe and Ni had synergistic roles that enhanced OER activity by the uniform formation and widening of pores in the carbon structure, while the CNF matrix also contributed to the increased stability of the catalyst.


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  • 9. Excavated Fe-N-C sites for Enhanced Electrocatalytic Activity in Oxygen Reduction Reaction, ChemSusChem, Volume 7 (2014) Pages 1289-1294 (IF = 7.5), B. Jeong, D. Shin, H. Jeon, J. D. Ocon, B. S. Mun, J. Baik, H.-J. Shin, J. Lee

    Abstract:

    Platinum (Pt) is the best electrocatalyst for the oxygen reduction reaction (ORR) in hydrogen fuel cells, but it is an extremely expensive resource. The successful development of a cost-effective non-Pt ORR electrocatalyst will be a breakthrough for the commercialization of hydrogen-air fuel cells. Ball milling has been used to incorporate metal and nitrogen precursors into micropores of carbon more effectively and in the direct nitrogen-doping of carbon under highly pressurized nitrogen gas in the process of the preparation of non-noble ORR catalysts. In this study, we first utilize ball milling to excavate the ORR active sites embedded in Fe-modified N-doped carbon nanofibers (Fe-N-CNFs) by pulverization. The facile ball-milling process resulted in a significant enhancement in the ORR activity and the selectivity of the Fe-N-CNFs owing to the higher exposure of the metal-based catalytically active sites. The degree of excavation of the Fe-based active sites in the Fe-N-CNFs for the ORR was investigated with cyclic voltammetry, X-ray photoelectron spectroscopy, and pore-size distribution analysis. We believe that this simple approach is useful to improve alternative ORR electrocatalysts up to the level necessary for practical applications.


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  • 8. High Energy Density Germanium-Based Anodes for Next Generation Lithium Ion Batteries, Applied Chemistry for Engineering, Volume 25 (2014) Pages 1-13, J. D. Ocon, J. K. Lee, J. Lee

    Abstract:

    Lithium ion batteries (LIBs) are the state-of-the-art technology among electrochemical energy storage and conversion cells, and are still considered the most attractive class of battery in the future due to their high specific energy density, high efficiency, and long cycle life. Rapid development of power-hungry commercial electronics and large-scale energy storage applications (e.g. off-peak electrical energy storage), however, requires novel anode materials that have higher energy densities to replace conventional graphite electrodes. Germanium (Ge) and silicon (Si) are thought to be ideal prospect candidates for next generation LIB anodes due to their extremely high theoretical energy capacities. For instance, Ge offers relatively lower volume change during cycling, better Li insertion/extraction kinetics, and higher electronic conductivity than Si. In this focused review, we briefly describe the basic concepts of LIBs and then look at the characteristics of ideal anode materials that can provide greatly improved electrochemical performance, including high capacity, better cycling behavior, and rate capability. We then discuss how, in the future, Ge anode materials (Ge and Ge oxides, Ge-carbon composites, and other Ge-based composites) could increase the capacity of today`s Li batteries. In recent years, considerable efforts have been made to fulfill the requirements of excellent anode materials, especially using these materials at the nanoscale. This article shall serve as a handy reference, as well as starting point, for future research related to high capacity LIB anodes, especially based on semiconductor Ge and Si.


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  • 7. Functionalized Graphene-Based Sulfur Cathode in Highly Reversible Lithium Sulfur Battery, ChemSusChem, Volume 7 (2014) Pages 1254-1273 (IF = 7.5), J. D. Ocon, J. W. Kim, D.-W. Park, J. Lee

    Abstract:

    In this article, we highlight the salient issues in the development of lithium‐sulfur battery (LSB) cathodes, present different points of view in solving them, and argue, why in the future, functionalized graphene or graphene oxide might be the ultimate solution towards LSB commercialization. As shown by previous studies and also in our recent work, functionalized graphene and graphene oxide enhance the reversibility of the charge‐discharge process by trapping polysulfides in the oxygen functional groups on the graphene surface, thus minimizing polysulfide dissolution. This will be helpful for the rational design of new cathode structures based on graphene for LSBs with minimal capacity fading, low extra cost, and without the unnecessary weight increase caused by metal/metal oxide additives.


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2013

  • 6. Lessons from Korean Innovation Model for ASEAN Countries Towards a Knowledge Economy, STI Policy Review, Volume 4 (2013) Pages 19-40, J. D. Ocon, D. Phihusut, J. A. del Rosario, T. N. Tuan, J. Lee

    Abstract:

    The Association of Southeast Asian Nations (ASEAN) achieved relatively rapid economic growth over the past decade. Sustainable growth among member states, however, is put into question due to macroeconomic challenges, political risk, and vulnerability to external shocks. Developed countries, in contrast, have turned into less labor-intensive technologies to further expand their economies. In this paper, we review the science, technology, and innovation (STI) policies and statuses of the scientific and technological capabilities of the ASEAN member countries. Empirical results based on STI indicators (R&D spending, publications, patents, and knowledge economy indices) reveal considerable variation between the science and technology (S&T) competence and effectiveness of STI policies of ASEAN members. We have categorized nations into clusters according their situations in their S&T productivity. Under the Korean Innovation Model, Cambodia, Laos, Myanmar, and Brunei are classified as being in the institutional-building stage, while Malaysia, Thailand, Indonesia, the Philippines, and Vietnam in the catch up stage, and Singapore in the post-catch up stage. Finally , policy prescriptions on how to enhance the S&T capabilities of the developing ASEAN countries, based on the South Korea development experience, are presented.


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  • 5. Ultrafast and Stable Hydrogen Generation from Sodium Borohydride in Methanol and Water over Fe-B Nanoparticles, Journal of Power Sources, Volume 243 (2013) Pages 444-450 (IF = 4.7), J. D. Ocon, T. N. Tuan, Y. Yi, R. de Leon, J. K. Lee, J. Lee

    Abstract:

    Use of environmentally friendly hydrogen as fuel on a massive scale requires efficient storage and generation systems. Chemical hydrides, such as sodium borohydride (NaBH4), have the capacity to meet these needs as demonstrated by its high hydrogen storage efficiency. Here, we first report the catalytic activity of Fe‐B nanoparticles supported on porous Ni foam ‐ synthesized via a simple chemical reduction technique ‐ for hydrogen generation from the mixtures of NaBH4, H2O, and CH3OH. Activation energies of the catalyzed hydrolysis (64.26 kJ mol 1) and methanolysis (7.02 kJ mol 1) are notably lower than other metal-boron catalysts previously reported. Methanol, in combination with a cheap but highly active Fe‐B nanocatalysts, provides ultrafast rates of low temperature hydrogen generation from the sodium borohydride solutions.


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  • 4. An Etched Nanoporous Ge Anode in a Novel Metal-Air Energy Conversion Cell, Physical Chemistry Chemical Physics, Volume 15 (2013) Pages 6333-6338 (IF = 3.8), J. D. Ocon, J. W. Kim, S. Uhm, B. S. Mun, J. Lee

    Abstract:

    We first report the successful synthesis of porous germanium with ordered hierarchical structures, via controlled etching, and show its performance as an anode in a new metal‐air battery. Our experimental results demonstrate the potential use of porous germanium in a high power density Ge‐air energy conversion cell, showing a stable long-term discharge profile at various current drains.


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  • 3. Enhanced Capacity of Li-S Cathode based on Graphene Oxide, Journal of Energy Chemistry, Volume 22 (2013) Pages 336-340 (IF = 2.4), J. W. Kim. J. D. Ocon, D.-W. Park, J. Lee

    Abstract:

    Lithium sulfur battery (LSB) offers several advantages such as very high energy density, low-cost, and environmental-friendliness. However, it suffers from serious degradation of its reversible capacity because of the dissolution of reaction intermediates, lithium polysulfides, into the electrolyte. To solve this limitation, there are many studies using graphene-based materials due to their excellent mechanical strength and high conductivity. Compared with graphene, graphene oxide (GO) contains various oxygen functional groups, which enhance the reaction with lithium polysulfides. Here, we investigated the positive effect of using GO mixed with carbon black on the performance of cathode in LSB. We have observed a smaller drop of capacity in GO mixed sulfur cathode. We further demonstrate that the mechanistic origin of reversibility improvement, as confirmed through CV and Raman spectra, can be explained by the stabilization of sulfur in lithium polysulfide intermediates by oxygen functional groups of GO to prevent dissolution. Our findings suggest that the use of graphene oxide-based cathode is a promising route to significantly improve the reversibility of current LSB.


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  • 2. Oxygen Electrocatalysis in Chemical Energy Conversion and Storage Technologies, Current Applied Physics, Volume 13 (2013) Pages 309-321 (IF = 2.0), J. Lee, B. Jeong, J. D. Ocon

    Abstract:

    Oxygen electrocatalysis that we first defined is considered as the most important phenomenon in almost all electrochemical industries because it is the most sluggish reaction that governs the overall reaction rate in electrochemical cells. In this review, we cover two main areas of oxygen‐water electrocatalysis, oxygen reduction to water and oxygen evolution from water. In particular, it aims to provide the readers with an understanding of the critical scientific challenges facing the development of oxygen electrocatalysts, various unique attributes of recent novel catalysts, the latest developments in electrode construction and the outlook for future generation of oxygen electrocatalysts. This review will be of value to both electrochemists and other applied scientists interested in this field of electrocatalysis.


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2012

  • 1. Theory-Derived Law of the Wall for Parallel Flat-Plates Turbulent Flow, CFD Letters, Volume 4 (2012) Pages 93-101, J. D. Ocon, L. Jirkovsky, R. de Leon, A. Muriel

    Abstract:

    It is well known that in a turbulent flow between two parallel flat plates, the horizontal mean velocity varies logarithmically with height (the so-called ‘logarithmic-law-of-the-wall’). The law of the wall is a description of the mean velocity profile in wall bounded flows and has been regarded as one of the underpinning doctrine in the turbulence community for more than half a century. Much of our understanding in wall turbulence has been based from the continuum Navier-Stokes Equation (NSE). More recently, following studies of a modified Navier Stokes Equation, we applied a modified incompressible NSE to the flow of turbulent fluid between two parallel flat plates and solved it analytically. We extended the analysis to the turbulent flow along a single wall and compared the results with the established controversial von Karman logarithmic law of the wall. We found velocity profiles and velocity time evolution of a turbulent system, through simple numerical simulations, that cannot be reproduced from the classical NSE.


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