Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Zachary J. L. Bare"'
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-10 (2023)
Abstract Perovskite oxides (ternary chemical formula ABO3) are a diverse class of materials with applications including heterogeneous catalysis, solid-oxide fuel cells, thermochemical conversion, and oxygen transport membranes. However, their multico
Externí odkaz:
https://doaj.org/article/d4858305d5c6454784b07b3394d11587
Autor:
James Eujin Park, Zachary J. L. Bare, Ryan J. Morelock, Mark A. Rodriguez, Andrea Ambrosini, Charles B. Musgrave, Anthony H. McDaniel, Eric N. Coker
Publikováno v:
Frontiers in Energy Research, Vol 9 (2021)
Solar thermochemical hydrogen (STCH) production is a promising method to generate carbon neutral fuels by splitting water utilizing metal oxide materials and concentrated solar energy. The discovery of materials with enhanced water-splitting performa
Externí odkaz:
https://doaj.org/article/c6c20e8835c34b17a3afbd539a3aab37
Publikováno v:
Journal of Chemical Theory and Computation. 18:3257-3267
We report a bond-valence method (BVM) parameterization framework that captures density functional theory (DFT)-computed relative stabilities using the BVM global instability index (GII). We benchmarked our framework against a dataset of 188 experimen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d8e7ac1586966334e0694fbffaee63b
https://doi.org/10.1021/acs.jctc.1c01113
https://doi.org/10.1021/acs.jctc.1c01113
Autor:
Karin U. D. Calvinho, Abdulaziz W. Alherz, Kyra M. K. Yap, Anders B. Laursen, Shinjae Hwang, Zachary J. L. Bare, Zachary Clifford, Charles B. Musgrave, G. Charles Dismukes
Publikováno v:
Journal of the American Chemical Society. 143:21275-21285
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66c1257e19620b578e55d245f48be933
https://doi.org/10.1021/jacs.1c03428
https://doi.org/10.1021/jacs.1c03428
Publikováno v:
ACS Applied Materials & Interfaces. 12:23831-23843
The iron aluminate spinel hercynite (FeAl2O4) is a promising redox material for solar thermochemical hydrogen production (STCH). Although it has a high H2 production capacity, the kinetics of its o...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd5da494c9efb28a426f0219b49643b0
https://doi.org/10.1021/acsami.0c02819
https://doi.org/10.1021/acsami.0c02819
Autor:
Paige Brimley, Hussain Almajed, Yousef Alsunni, Abdulaziz W. Alherz, Zachary J. L. Bare, Wilson A. Smith, Charles B. Musgrave
Publikováno v:
ACS Catalysis. 12(16)
Renewably driven, electrochemical conversion of carbon dioxide into value-added products is expected to be a critical tool in global decarbonization. However, theoretical studies based on the computational hydrogen electrode largely ignore the nonlin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d846e3491fbecbd7e26d6485a8357e1d
http://resolver.tudelft.nl/uuid:6309e961-5491-49bd-96bc-43e5089bd31c
http://resolver.tudelft.nl/uuid:6309e961-5491-49bd-96bc-43e5089bd31c
Publikováno v:
Advanced Functional Materials. 32:2200201
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c39f69cc2f078224810bc0110f85c80
https://doi.org/10.1002/adfm.202200201
https://doi.org/10.1002/adfm.202200201