期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 5, 期 25, 页码 12735-12739出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7ta03340k
关键词
-
资金
- Italian Ministry of University and Research (MIUR) [PRIN 2015XBZ5YA]
Perovskite oxides are promising electrodes for oxygen evolution and reduction reactions (OER/ORR), but it is difficult for a single material to catalyze both reactions efficiently. We investigated using first-principles calculations the K-doped Sr2Fe1.5Mo0.5O6-delta mixed proton-electron conducting oxide. We found that aliovalent doping tunes the electronic features to be optimal for the ORR and lattice expansion-driven surface reconstruction stabilizes the key *OOH intermediate for the OER. The resulting ORR/OER overpotentials are very low (similar to 0.5 V), suggesting the application of this material as an air electrode in reversible solid oxide electrochemical cells.
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