期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 55, 期 43, 页码 13499-13503出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201603835
关键词
defects; electronic structure; perovskite phases; proton conduction; vacancies
资金
- National Research Foundation of Korea (NRF) [2014R1A4A1003712, 2013M3A6B1078874]
- End-Run Project by the Institute for Startup KAIST
In most proton-conducing perovskite oxides, the electrostatic attraction between negatively charged acceptor dopants and protonic defects having a positive charge is known to be a major cause of retardation of proton conduction, a phenomenon that is generally referred to as proton trapping. We experimentally show that proton trapping can be suppressed by clustering of positively charged oxygen vacancies to acceptors in BaZrO3- and BaCeO3-. In particular, to ensure the vacancy-acceptor association is effective against proton trapping, the valence electron density of acceptors should not significantly vary when the oxygen vacancies cluster, based on the weak hybridization between the valence d or p orbitals of acceptors and the 2p orbitals of oxygen.
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