Publications

Bishop, S.R., Armijo, K.M., Debusschere, B., McDaniel, A.H., Sugar, J.D., Witman, M.D., Ginley, D., Lany, S., Ma, Z., Zakutayev, A., Ogitsu, T., Wood, B., Ding, D., & Ding, D. (2024). HydroGEN: Solar Thermochemical Hydrogen Production [Conference Poster]. 10.2172/2564001

Bishop, S.R., Armijo, K.M., Debusschere, B., McDaniel, A.H., Sugar, J.D., Witman, M.D., Ginley, D., Lany, S., Ma, Z., Zakutayev, A., Ogitsu, T., Wood, B., Ding, D., & Ding, D. (2024). HydroGEN: Solar Thermochemical Hydrogen (STCH) Water Splitting [Poster]. 10.2172/2563874

Bishop, S.R., McDaniel, A.H., & McDaniel, A.H. (2024). Solar Thermochemical Water Splitting (STCH) [Conference Presentation]. 10.2172/2563975

Witman, M.D., Goyal, A., Guan, P., Ogitsu, T., McDaniel, A.H., Lany, S., & Lany, S. (2024). Materials discovery for high-temperature clean-energy applications via defect graph neural networks [Conference Presentation]. 10.2172/2563952

Bishop, S.R., Liu, C., Liu, X., King, K.A., Sugar, J.D., McDaniel, A.H., Salinas, P.A., Coker, E.N., Foulk, J.W., Luo, J., & Luo, J. (2023). Manganese-based A-site high-entropy perovskite oxide for solar thermochemical hydrogen production. Journal of Materials Chemistry A, 12(7), pp. 3910-3922. 10.1039/d3ta03554a

Witman, M.D., Goyal, A., Lany, S., Guan, P., McDaniel, A.H., Brooks, K., Zlotea, C., Stavila, V., Allendorf, M., & Allendorf, M. (2023). From data-driven modeling to systems level co-design: progress in materials discovery and optimization for hydrogen storage and generation [Conference Presentation]. 10.2172/2430404

Witman, M.D., Goyal, A., Ogitsu, T., McDaniel, A.H., Lany, S., & Lany, S. (2023). Defect graph neural networks for materials discovery in high-temperature clean-energy applications. Nature Computational Science, 3(8), pp. 675-686. 10.1038/s43588-023-00495-2

Wexler, R.B., Sai Gautam, G., Bell, R.T., Shulda, S., Strange, N.A., Trindell, J.A., Sugar, J.D., Nygren, E., Sainio, S., McDaniel, A.H., Ginley, D., Carter, E.A., Stechel, E.B., & Stechel, E.B. (2023). Multiple and nonlocal cation redox in Ca-Ce-Ti-Mn oxide perovskites for solar thermochemical applications. Energy and Environmental Science, 16(6), pp. 2550-2560. https://doi.org/10.1039/d3ee00234a

Bishop, S.R., Zhang, D., Liu, C., Li, W., Salinas, P.A., Smith, A.I., Coker, E.N., de Santiago, H., Liu, X., McDaniel, A.H., Luo, J., & Luo, J. (2023). Oxygen non-stoichiometry and point defect equilibria in (La1/6Pr1/6Nd1/6Gd1/6Ba1/6Sr1/6)MnO3-δ [Conference Proceeding]. 10.1149/MA2023-0154173mtgabs

Witman, M.D., Allendorf, M., Stavila, V., McDaniel, A.H., & McDaniel, A.H. (2023). Data driven methods enable rational design of high entropy materials for hydrogen storage (and generation) [Conference Presentation]. 10.2172/2431107

Bishop, S.R., Liu, C., Li, W., Zhang, D., Salinas, P.A., Smith, A.I., Coker, E.N., Sugar, J.D., Foulk, J.W., Liu, X., McDaniel, A.H., Luo, J., & Luo, J. (2023). Oxygen non-stoichiometry and point defect equilibria in (La1/6Pr1/6Nd1/6Gd1/6Ba1/6Sr1/6)MnO3-δ at 1200 – 1450 oC [Conference Presentation]. 10.2172/2431106

Lany, S., Witman, M.D., Goyal, A., Sharan, A., Singh, N., Ogitsu, T., McDaniel, A.H., & McDaniel, A.H. (2022). Sampling and screening approaches for imperfect materials: Defects and incommensurate interfaces [Conference Poster]. 10.2172/2432238

Bishop, S.R., Li, W., Zhang, D., Salinas, P.A., Smith, A.I., Liu, C., Liu, X., McDaniel, A.H., Luo, J., & Luo, J. (2022). Oxygen non-stoichiometry and point defect equilibria in (La1/6Pr1/6Nd1/6Gd1/6Ba1/6Sr1/6)MnO3-δ at 1200 ? 1450 oC [Conference Presentation]. 10.2172/2006187

McDaniel, A.H. (2022). Solar Hydrogen from Water Splitting using Liquid Metal Oxidation/Reduction Cycles Promoted by Electrochemistry [Conference Presentation]. https://www.osti.gov/biblio/2005323

Trindell, J.A., McDaniel, A.H., Ogitsu, T., Ambrosini, A., Sugar, J.D., & Sugar, J.D. (2022). Probing Electronic and Structural Transformations during Thermal Reduction of the Promising Water Splitting Perovskite BaCe0.25Mn0.75O3. Chemistry of Materials, 34(17), pp. 7712-7720. 10.1021/acs.chemmater.2c00731

Smith, A.I., Bishop, S.R., Coker, E.N., Park, J.E., Ambrosini, A., Bush, H.E., McDaniel, A.H., & McDaniel, A.H. (2022). Design, Synthesis and Characterization of Materials for Solar Thermochemical Hydrogen Production [Conference Presentation]. 10.2172/2004859

McDaniel, A.H. (2022). Prospecting for Green Hydrogen Using Complex Perovskites and Concentrated Sunlight [Conference Presentation]. 10.2172/2004187

Smith, A.I., Park, J.E., Bishop, S.R., Coker, E.N., Rodriguez, M.A., Ambrosini, A., Bush, H.E., McDaniel, A.H., & McDaniel, A.H. (2022). Solar Thermochemical Hydrogen Production on Hexagonal Perovskites BaX0.25Mn0.75O3 (X=Ce, Nb, Pr) [Conference Poster]. 10.2172/2004019

Trindell, J.A., Strange, N., Shulda, S., Bell, R.E., Ogitsu, T., McDaniel, A.H., Sugar, J.D., & Sugar, J.D. (2022). Modulating the O-bonding energies of Mn-based perovskites to maximize solar thermochemical hydrogen production [Conference Presentation]. 10.2172/2006396

Witman, M.D., Goyal, A., Ogitsu, T., McDaniel, A.H., Lany, S., & Lany, S. (2022). Graph Neural Network Modeling of Vacancy Formation for Materials Discovery in Solar Thermochemical Water Splitting [Conference Presentation]. 10.2172/2003747

McDaniel, A.H., Singh, G., Ambrosini, A., Armijo, K.M., Yuan, Y., Halstenberg, P., & Halstenberg, P. (2022). Solar Hydrogen from Water Splitting using Liquid Metal Oxidation/Reduction Cycles Promoted by Electrochemistry [Conference Presentation]. 10.2172/2003049

McDaniel, A.H., Bell, R.E., Martineck, J., Ginley, D., & Ginley, D. (2022). Initiating a Roadmap for Solar Fuels R&D: Imagining Beyond Thermochemical Cycles. 10.2172/1871935

Witman, M.D., Goyal, A., Ogitsu, T., McDaniel, A.H., Lany, S., & Lany, S. (2022). Graph Convolutional Neural Network Modeling of Vacancy Formation for Materials Discovery in Solar Thermochemical Water Splitting [Conference Presentation]. 10.2172/2003103

Trindell, J.A., Strange, N.A., Shulda, S., Bell, R.T., McDaniel, A.H., Sugar, J.D., & Sugar, J.D. (2022). Modulating the O-binding energies of Mn-based perovskites towards the maximization of solar thermochemical hydrogen (STCH) production [Conference Poster]. 10.2172/2001782

Thurmer, K., Bartelt, N.C., Whaley, J.A., McDaniel, A.H., el Gabaly, F., & el Gabaly, F. (2022). The role of H–H interactions and impurities on the structure and energetics of H/Pd(111). Journal of Chemical Physics, 156(4). 10.1063/5.0068291