期刊
ENERGY & ENVIRONMENTAL SCIENCE
卷 4, 期 10, 页码 3966-3970出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1ee02032c
关键词
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资金
- U.S. National Science Foundation [0079983]
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0001284]
- DOE SISGR [DE-SC0002633]
- U.S. Department of Energy (DOE) [DE-SC0001284] Funding Source: U.S. Department of Energy (DOE)
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0079983] Funding Source: National Science Foundation
In this work we demonstrate that the experimentally measured area specific resistance and oxygen surface exchange of solid oxide fuel cell cathode perovskites are strongly correlated with the first-principles calculated oxygen p-band center and vacancy formation energy. These quantities are therefore descriptors of catalytic activity that can be used in the first-principles design of new SOFC cathodes.
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