@article {1136, title = {Comprehensive Evaluation for Protective Coatings: Optical, Electrical, Photoelectrochemical, and Spectroscopic Characterizations}, journal = {Frontiers in Energy Research}, volume = {9}, year = {2022}, month = {2022}, abstract = {Numerous efficient semiconductors suffer from instability in aqueous electrolytes. Strategies utilizing protective coatings have thus been developed to protect these photoabsorbers against corrosion while synergistically improving charge separation and reaction kinetics. Recently, various photoelectrochemical (PEC) protective coatings have been reported with suitable electronic properties to ensure low charge transport loss and reveal the fundamental photoabsorber efficiency. However, protocols for studying the critical figures of merit for protective coatings have yet to be established. For this reason, we propose four criteria for evaluating the performance of a protective coating for PEC water-splitting: stability, conductivity, optical transparency, and energetic matching. We then propose a flow chart that summarizes the recommended testing protocols for quantifying these four performance metrics. In particular, we lay out the stepwise testing protocols to evaluate the energetics matching at a semiconductor/coating/(catalyst)/liquid interface. Finally, we provide an outlook for the future benchmarking needs for coatings.}, keywords = {coating, energetics, performance evaluation, performance metrics, spectroscopy}, issn = {2296-598X}, doi = {10.3389/fenrg.2021.799776}, url = {https://www.frontiersin.org/article/10.3389/fenrg.2021.799776}, author = {Shen, Xin and Yanagi, Rito and Solanki, Devan and Su, Haoqing and Li, Zhaohan and Xiang, Cheng-Xiang and Hu, Shu} } @article {1132, title = {A Computational Framework to Accelerate the Discovery of Perovskites for Solar Thermochemical Hydrogen Production: Identification of Gd Perovskite Oxide Redox Mediators}, journal = {Advanced Functional Materials}, year = {2022}, pages = {2200201}, abstract = {A high-throughput computational framework to identify novel multinary perovskite redox mediators is presented, and this framework is applied to discover the Gd-containing perovskite oxide compositions Gd2BB'O6, GdA'B2O6, and GdA'BB'O6 that split water. The computational scheme uses a sequence of empirical approaches to evaluate the stabilities, electronic properties, and oxygen vacancy thermodynamics of these materials, including contributions to the enthalpies and entropies of reduction, ΔHTR and ΔSTR. This scheme uses the machine-learned descriptor τ to identify compositions that are likely stable as perovskites, the bond valence method to estimate the magnitude and phase of BO6 octahedral tilting and provide accurate initial estimates of perovskite geometries, and density functional theory including magnetic- and defect-sampling to predict STCH-relevant properties. Eighty-three promising STCH candidate perovskite oxides down-selected from 4392 Gd-containing compositions are reported, three of which are referred to experimental collaborators for characterization and exhibit STCH activity. The results demonstrate that the high-throughput computational scheme described herein{\textemdash}which is used to evaluate Gd-containing compositions but can be applied to any multinary perovskite oxide compositional space(s) of interest{\textemdash}accelerates the discovery of novel STCH active redox mediators with reasonable computational expense.}, keywords = {concentrated solar energy, density functional theory, hydrogen, Perovskite, thermochemical water splitting}, doi = {https://doi.org/10.1002/adfm.202200201}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/adfm.202200201}, author = {Bare, Zachary J. L. and Morelock, Ryan J. and Musgrave, Charles B.} } @article {1139, title = {Electrode optimization for efficient hydrogen production using an SO2-depolarized electrolysis cell}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, pages = {14180-14185}, abstract = {The hybrid sulfur (HyS) cycle offers an alternative route to hydrogen and sulfuric acid production using the SO2-depolarized electrolysis (SDE) cell. This work reports the most efficient SDE operation to date at high sulfuric acid concentrations (\~{}60~wt\%) achieved through the optimization of operating conditions and cell components. We observed that open porosity in the porous transport media (PTM) plays a significant role in SDE performance as it enables efficient acid removal from the catalyst layer. The combination of membrane electrode assembly (MEA) components, such as Sulfonated Diels Alder Poly (phenylene) (SDAPP) membranes and electrodes prepared using SGL 29BC PTM, and operating conditions (103.4 kPagauge at 125~{\textdegree}C) yielded electrolysis potentials <700~mV at 500~mA/cm2 and acid concentrations >60~wt\%.}, keywords = {Catalysis, electrolysis, High pressure, Hybrid sulfur cycle, Hydrogen generation, Sulfur dioxide}, issn = {0360-3199}, doi = {https://doi.org/10.1016/j.ijhydene.2022.02.166}, url = {https://www.sciencedirect.com/science/article/pii/S0360319922007807}, author = {H{\'e}ctor R. Col{\'o}n-Mercado and Scott A. Mauger and Maximilian B. Gorensek and Cy H. Fujimoto and Aaron A. Lando and Prabhu Ganesan and Benjamin H. Meekins and Noah D. Meeks} } @article {1142, title = {Intermediate Temperature Solid Oxide Cell with a Barrier Layer Free Oxygen Electrode and Phase Inversion Derived Hydrogen Electrode}, journal = {Journal of the Electrochemical Society}, volume = {169}, year = {2022}, month = {3}, keywords = {area specific resistance, cathode, electrical conductivity, intermediate temperature-operating solid oxide fuel cell, layered perovskite}, doi = {10.1149/1945-7111/ac565a}, author = {Zhang, Yongliang and Xu, Nansheng and Tang, Qiming and Huang, Kevin} } @article {1146, title = {Predicting Oxygen Off-Stoichiometry and Hydrogen Incorporation in Complex Perovskite Oxides}, journal = {Chemistry of Materials}, volume = {34}, year = {2022}, pages = {510-518}, keywords = {charge transfer resistance, Hydrogen Incorporation, Oxygen evolution reaction, Perovskite, Perovskite Oxides, Stoichiometry}, doi = {10.1021/acs.chemmater.0c04765}, url = {https://doi.org/10.1021/acs.chemmater.0c04765}, author = {Millican, Samantha L. and Deml, Ann M. and Papac, Meagan and Zakutayev, Andriy and O{\textquoteright}Hayre, Ryan and Holder, Aaron M. and Musgrave, Charles B. and Stevanovi{\'c}, Vladan} } @article {1147, title = {Redox Defect Thermochemistry of FeAl2O4 Hercynite in Water Splitting from First-Principles Methods}, journal = {Chemistry of Materials}, volume = {34}, year = {2022}, pages = {519-528}, keywords = {concentrated solar, Hercynite, hydrogen lcroduction, Perovskite, Redox Defect, screening, thermochemistry, thermogravimetry, water splitting}, doi = {10.1021/acs.chemmater.1c01049}, url = {https://doi.org/10.1021/acs.chemmater.1c01049}, author = {Millican, Samantha L. and Clary, Jacob M. and Musgrave, Charles B. and Lany, Stephan} } @article {1148, title = {Revitalizing interface in protonic ceramic cells by acid etch}, journal = {Nature}, volume = {604}, year = {2022}, month = {04}, pages = {479-485}, keywords = {acid treatment, ceramic fuel-cell, electrolysis, high-temperature annealed electrolyte surface, proton conductivity, Protonic ceramic electrochemical cells}, doi = {10.1038/s41586-022-04457-y}, author = {Bian, Wenjuan and Wu, Wei and Wang, Baoming and Tang, Wei and Zhou, Meng and Jin, Congrui and Ding, Hanping and Fan, Weiwei and Dong, Yanhao and Li, Ju and Ding, Dong} } @article {1149, title = {Spatially resolved performance and degradation in a perfluorinated anion exchange membrane fuel cell}, journal = {Electrochimica Acta}, volume = {406}, year = {2022}, pages = {139812}, abstract = {Anion exchange membrane fuel cells may enable future operation with non-precious metal-based catalysts. These systems have a delicate sensitivity to operating conditions such as humidification levels and the presence of CO2 in the air oxidant stream. We present spatially resolved in-situ performance results that shed light on phenomena that are unique to anion exchange membrane fuel cells. For cell construction, a highly conductive perfluorinated anion exchange polymer was used as the membrane and the material in powder form as the ionomer. Experiments were conducted to investigate the effects of humidification, fuel/oxidant concentration, and carbonation effects on the performance and its distribution in the cell. The results indicated that (i) dry conditions at the cathode have a stronger effect than at the anode on overall cell performance, (ii) performance significantly suffered when humidification was below 90\%, (iii) fuel and oxidant dilution effects lead mass-transport losses and were stronger than flow rate effects, (iv) CO2 in the cathode feed stream creates an equilibration disparity between the inlet and outlet sections and CO2 purging is affected by flooding conditions, and (v) after >500~h of operation, performance deteriorates predominantly at the inlet.}, keywords = {2+1D fuel cell model, Anion Exchange membranes, Cathode dry-out, CO poisoning, Fuel cell durability, Mass transport limitations, Segmented fuel cell}, issn = {0013-4686}, doi = {https://doi.org/10.1016/j.electacta.2021.139812}, url = {https://www.sciencedirect.com/science/article/pii/S0013468621020958}, author = {Ashutosh G. Divekar and Michael R. Gerhardt and Christopher M. Antunes and Luigi Osmieri and Ami C. Yang-Neyerlin and Adam Z. Weber and Bryan S. Pivovar and Guido Bender and Andrew M. Herring} } @article {1133, title = {A Thermogravimetric Temperature-Programmed Thermal Redox Protocol for Rapid Screening of Metal Oxides for Solar Thermochemical Hydrogen Production}, journal = {Frontiers in Energy Research}, volume = {10}, year = {2022}, month = {04}, pages = {856943}, keywords = {concentrated solar, hydrogen lcroduction, Perovskite, screening, thermogravimetry, water splitting}, doi = {10.3389/fenrg.2022.856943}, author = {Sanders, Michael and Bergeson-Keller, Anyka and Coker, Eric and O{\textquoteright}Hayre, Ryan} } @article {1153, title = {Chalkboard 2 - How to Make Clean Hydrogen}, journal = {The Electrochemical Society Interface}, volume = {30}, year = {2021}, month = {dec}, pages = {49{\textendash}56}, abstract = {Clean hydrogen is a carbon-free energy carrier that can be produced from water and sustainable energy sources such as wind, solar, and nuclear. Hence, clean hydrogen is one of the best ways to not only decarbonize the energy supply system, but also address the zero-emission challenges specific to large-carbon emitting industries that are difficult to separate from fossil fuels. To help achieve the Biden Administration{\textquoteright}s goal of a 100\% clean energy economy and net-zero emissions by 2050, several tens of millions of metric tons of clean, low-cost hydrogen will be needed annually. The HydroGEN Advanced Water Splitting Materials (AWSM) Consortium was established in 2016 as part of the Energy Materials Network (EMN) under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office to enhance the performance, improve the durability, and reduce the cost of clean hydrogen production technologies, and it is helping to advance the H2@Scale vision.}, keywords = {Clean hydrogen, decarbonization, energy supply system, hydrogen, zero-emission challenges}, doi = {10.1149/2.f13214if}, url = {https://doi.org/10.1149/2.f13214if}, author = {Shaun Alia and Dong Ding and Anthony McDaniel and Francesca M. Toma and Huyen N. Dinh} } @article {1119, title = {Double-Site Substitution of Ce Into (Ba, Sr)MnO3 Perovskites for Solar Thermochemical Hydrogen Production}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, pages = {3037-3043}, keywords = {Combinatorial synthesis, High-throughput experiments, Perovskites}, doi = {https://doi.org/10.1021/acsenergylett.1c01214}, author = {S. J. Heo and M. Sanders and R. O{\textquoteright}Hayre and A. Zakutayev} } @article {1156, title = {Energy Material Network Data Hubs}, journal = {International Journal of Advanced Computer Science and Applications}, volume = {12}, year = {2021}, abstract = {In early 2015 the United States Department of Energy conceived of a consortium of collaborative bodies based on shared expertise, data, and resources that could be targeted towards the more difficult problems in energy materials research. The concept of virtual laboratories had been envisioned and discussed earlier in the decade in response to the advent of the Materials Genome Initiative and similar scientific thrusts. To be effective, any virtual laboratory needed a robust method for data management, communication, security, data sharing, dissemination, and demonstration to work efficiently and effectively for groups of remote researchers. With the accessibility of new, easily deployed cloud technology and software frameworks, such individual elements could be integrated, and the required collaboration architecture is now possible. The developers have leveraged open-source software frameworks, customized them, and merged them into a platform to enable collaborative energy materials science, regardless of the geographic dispersal of the people and resources. After five years in operations, the systems are demonstratively an effective platform for enabling research within the Energy Material Networks (EMN). This paper will show the design and development of a secured scientific data sharing platform, the ability to customize the system to support diverse workflows, and examples of the enabled research and results connected with some of the Energy Material Networks.}, keywords = {cloud computing, consortium, data management, Energy materials research, network, virtual laboratories}, doi = {10.14569/IJACSA.2021.0120677}, url = {http://dx.doi.org/10.14569/IJACSA.2021.0120677}, author = {Robert R. White and Kristin Munch and Nicholas Wunder and Nalinrat Guba and Chitra Sivaraman and Kurt M. Van Allsburg and Huyen Dinh and Courtney Pailing} } @article {1157, title = {Hydrogen: Targeting \textdollar1/kg in 1 Decade}, journal = {The Electrochemical Society Interface}, volume = {30}, year = {2021}, month = {12/2021}, pages = {61{\textendash}66}, abstract = {The societal energy system is evolving rapidly as the impacts of our existing energy system are better appreciated and technological advances have dramatically decreased the cost of renewable resources. Simultaneously, the importance of energy transfer across timeframes and the difficulty of decarbonizing the industrial loads and transportation demands using electricity are being recognized. At the center of this need is achieving low-cost clean hydrogen. The U.S. Department of Energy launched the Hydrogen Energy EarthShot which seeks to reduce the cost of clean hydrogen to $1 per 1 kilogram in one decade. Reaching the $1/kg goal is dependent on the evolution of the electrical energy system to increase renewable energy deployment and low electricity costs; advances in electrolysis technology and manufacturing readiness; and infrastructure build-out and hydrogen market establishment that results in the ability to make, move, store, and use clean hydrogen economically while spurring job creation.}, keywords = {Clean hydrogen, decarbonizing, electrolysis, energy storage, energy transfer, hydrogen market, hydrogen shot}, doi = {10.1149/2.f15214if}, url = {https://doi.org/10.1149/2.f15214if}, author = {Bryan S. Pivovar and Mark F. Ruth and Deborah J. Myers and Huyen N. Dinh} } @article {1152, title = {A mini-review on proton conduction of BaZrO 3 -based perovskite electrolytes}, journal = {Journal of Physics: Energy}, volume = {3}, year = {2021}, month = {07}, pages = {032019}, keywords = {ceramics, dopant, electrolyte, electrolytic cell, energy conversion, fuel cell, hydration, interaction, mobility, oxide, proton, proton conduction}, doi = {10.1088/2515-7655/ac12ab}, author = {Vera, Clarita and Ding, Hanping and Peterson, David and Gibbons, William and Zhou, Meng and Ding, Dong} } @article {1162, title = {Performance Indicators for Benchmarking Solar Thermochemical Fuel Processes and Reactors}, journal = {Frontiers in Energy Research}, volume = {9}, year = {2021}, abstract = {Concentrated solar energy offers a source for renewable high-temperature process heat that can be used to efficiently drive endothermic chemical processes, converting the entire spectrum of solar radiation into chemical energy. In particular, solar-driven thermochemical processes for the production of fuels include reforming of methane and other hydrocarbons, gasification of biomass, coal, and other carbonaceous feedstock, and metal oxide redox cycles for splitting H2O and CO2. A notable issue in the development of these processes and their associated solar reactors is the lack of consistent reporting methods for experimental demonstrations and modelling studies, which complicates the benchmarking of the corresponding technologies. In this work we formulate dimensionless performance indicators based on mass and energy balances of such reacting systems, namely: energy efficiency, conversion extent, selectivity, and yield. Examples are outlined for the generic processes mention above. We then provide guidelines for reporting on such processes and reactors and suggest performance benchmarking on four key criteria: energy efficiency, conversion extent, product selectivity, and performance stability.}, keywords = {benchmarking, concentrated solar power, solar fuels and chemicals, solar reactors, thermochemical processes}, issn = {2296-598X}, doi = {10.3389/fenrg.2021.677980}, url = {https://www.frontiersin.org/article/10.3389/fenrg.2021.677980}, author = {Bulfin, Brendan and Miranda, Miguel and Steinfeld, Aldo} } @article {1163, title = {Phase formation of manganese oxide thin films using pulsed laser deposition}, journal = {Mater. Adv.}, volume = {2}, year = {2021}, pages = {303-309}, abstract = {Manganese oxides have enabled a wide range of technologies including oxygen evolution catalysts, lithium ion batteries, and thermochemical water splitting. However, the variable oxidation state and rich polymorphism of manganese oxides make it difficult to find the processing conditions to target a particular phase of manganese oxide. Targeted synthesis requires a more complete understanding of the phase space and the impact of multiple processing variables on phase formation. Here, we demonstrate the impact of substrate temperature, total deposition pressure, partial pressure of oxygen, and target composition on the phase formation of manganese oxides grown using combinatorial pulsed laser deposition (PLD). Thin films were deposited from a MnO, Mn2O3 or MnO2 target onto amorphous glass substrates with a continuously varied temperature provided by a combinatorial heater. A combination of X-ray diffraction, Rutherford backscattering spectroscopy, and Raman and Fourier transform infrared (FTIR) spectroscopies were used to determine the phases present in the samples. The oxygen partial pressure was found to be the critical factor determining phase formation, while the total pressure, target composition, and substrate temperature have smaller and more complex effects on phase formation. Comparing the results of this work to the published temperature{\textendash}pressure phase diagrams shows that the PLD thin films vary significantly from the expected equilibrium phases of either the bulk materials or nanoparticles. These results suggest that PLD provides a route to capture phases of manganese oxides at lower temperatures or higher oxygen pressures than those required for bulk synthesis or solution processing.}, keywords = {Combinatorial, Manganese oxides, Pulsed laser deposition, STCH}, doi = {10.1039/D0MA00417K}, url = {http://dx.doi.org/10.1039/D0MA00417K}, author = {Garten, Lauren M. and Selvarasu, Praneetha and Perkins, John and Ginley, David and Zakutayev, Andriy} } @article {1164, title = {Regulation of Cathode Mass and Charge Transfer by Structural 3D Engineering for Protonic Ceramic Fuel Cell at 400 {\textdegree}C (Adv. Funct. Mater. 33/2021)}, journal = {Advanced Functional Materials}, volume = {31}, year = {2021}, pages = {2170244}, abstract = {3D Engineering In article number 2102907, Wei Wu, Meng Zhou, Dong Ding, and co-workers develop a 3D engineered cathode to enhance oxygen reduction reaction kinetics on a proton-conducting fuel cell at <600 {\textdegree}C. The results demonstrate remarkable cell performance at 400{\textendash}600 {\textdegree}C by effectively regulating the mass and charge transfer through the electrode and across the interface of electrolyte and electrode.}, keywords = {3D engineering, charge transfer, mass transfer, oxygen reduction reaction, p-SOEC, protonic ceramic fuel cells}, doi = {https://doi.org/10.1002/adfm.202170244}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/adfm.202170244}, author = {Bian, Wenjuan and Wu, Wei and Gao, Yipeng and Gomez, Joshua Y. and Ding, Hanping and Tang, Wei and Zhou, Meng and Ding, Dong} } @article {1127, title = {CeTi2O6{\textemdash}A Promising Oxide for Solar Thermochemical Hydrogen Production}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, pages = {21521-21527}, keywords = {brannerite structure, Cerium based oxides, CeTi2O6, high thermal stability, large entropy of reduction, small reduction enthalpy}, doi = {CeTi2O6{\textemdash}A Promising Oxide for Solar Thermochemical Hydrogen Production}, author = {S. S. Naghavi and J. He and C. Wolverton} } @article {1126, title = {Favorable Redox Thermodynamics of SrTi0.5Mn0.5O3-δ in Solar Thermochemical Water Splitting}, journal = {Chemistry of Materials}, volume = {32}, year = {2020}, pages = {9335-9346}, keywords = {Cubic perovskite, Modeling, Perovskite, SrTi0.5Mn0.5O3-δ}, doi = {https://doi.org/10.1021/acs.chemmater.0c03278}, author = {X. Qian and J. He and E. Mastronardo and B. Baldassarri and C. Wolverton and S. M. Haile} } @article {1124, title = {High-Throughput Analysis of Materials for Chemical Looping Processes}, journal = {Advanced Energy Materials}, volume = {10}, year = {2020}, keywords = {chemical looping, high-throughput screening, machine learning, redox catalysis}, doi = {https://doi.org/10.1002/aenm.202000685}, author = {N. R. Singstock and C. J. Bartel and A. M. Holder and C. B. Musgrave} } @article {1178, title = {Tungsten oxide-coated copper gallium selenide sustains long-term solar hydrogen evolution}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2020}, month = {12}, keywords = {CuGaSe, durability, PEC, Photocathode, Pt hydrogen evolution catalyst, Tungsten oxide protective coating}, doi = {10.1039/d0se00487a}, author = {Palm, David W. and Muzzillo, Christopher P. and Ben-Naim, Micha and Khan, Imran and Gaillard, Nicolas and Jaramillo, Thomas F.} } @article {1183, title = {Direct Deposition of Crystalline Ta3N5 Thin Films on FTO for PEC Water Splitting}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, pages = {15457-15466}, keywords = {ALD, CVD, FTO, PEC, Photoanode, Ta3N5, Tantalum nitride}, doi = {10.1021/acsami.8b21194}, url = {https://doi.org/10.1021/acsami.8b21194}, author = {Hajibabaei, Hamed and Little, Daniel J. and Pandey, Ayush and Wang, Dunwei and Mi, Zetian and Hamann, Thomas W.} } @article {1194, title = {Transition Metal Arsenide Catalysts for the Hydrogen Evolution Reaction}, journal = {The Journal of Physical Chemistry C}, volume = {123}, year = {2019}, pages = {24007-24012}, keywords = {Arsenide catalyst, CoAs, Hydrogen evolution catalyst, MoAs, Modeling, PEC}, doi = {10.1021/acs.jpcc.9b05738}, url = {https://doi.org/10.1021/acs.jpcc.9b05738}, author = {Gauthier, Joseph A. and King, Laurie A. and Stults, Faith Tucker and Flores, Raul A. and Kibsgaard, Jakob and Regmi, Yagya N. and Chan, Karen and Jaramillo, Thomas F.} } @article {1134, title = {Assessing the Oxidative Stability of Anion Exchange Membranes in Oxygen Saturated Aqueous Alkaline Solutions}, journal = {Frontiers in Energy Research}, volume = {10}, month = {2022}, keywords = {anion exchange membrane, conductivity, electrolysis, protocol and guidelines, stability}, doi = {10.3389/fenrg.2022.871851}, author = {Arges, Christopher G. and Ramani, Vijay and Wang, Zhongyang and Ouimet, Ryan J.} }