Predicting and Evaluating New Water Splitting Materials for Solar Thermochemical Hydrogen Production
Sean Bishop a, Matthew Witman b, Keith King b, Arielle Clauser b, Michael Dzara c, Perla Salinas a, Joshua Sugar b, Pinwen Guan b, Bert Debusschere b, Eric Coker a, David Ginley c, Anthony McDaniel b
a Sandia National Laboratories, Albuquerque, NM, USA
b Sandia National Laboratories, Livermore, CA, USA
c National Renewable Energy Laboratory, NREL, Golden, CO, USA.
Proceedings of 24th International Conference on Solid State Ionics (SSI24)
Fundamentals: Experiment and simulation
London, United Kingdom, 2024 July 14th - 19th
Organizers: John Kilner and Stephen Skinner
Keynote, Sean Bishop, presentation 030
Publication date: 10th April 2024

Solar thermochemical hydrogen (STCH) production uses concentrated sunlight to produce hydrogen using reduction/oxidation of metal oxides. Typically, the metal oxide is heated to high temperature (>1400 oC) causing it to release oxygen, then it is cooled to a lower temperature (~<1000 oC) in steam whereby it re-oxidizes, stripping oxygen from water molecules and producing hydrogen. Due to improved stability, non-stoichiometric oxides that do not change phase during the STCH process are typically used, even though the reversible oxygen content is less than phase changing materials. HydroGEN (h2awsm.org) is an Energy Materials Network supported by the U.S. Department of Energy’s Hydrogen and Fuel Cell Technologies Office, and is focused on the development of new water splitting materials for STCH by fostering collaboration between U.S. national laboratories and external entities such as academia and industry. In this presentation, recent progress in developing new water splitting materials will be presented. STCH performance of select materials predicted from a defect Graph Neural Network trained on crystal structures derived from density functional theory, subsequently synthesized and characterized using thermogravimetric analysis and flow reactor measurements, will be presented. Additionally, there will be discussion of benchmarking metrics and characterization of exemplar STCH materials. Lastly, trends in water splitting materials and durability considerations and challenges for commercialization will be discussed.

SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525

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