Vacancy-Induced Electronic Structure Variation of Acceptors and Correlation with Proton Conduction in Perovskite Oxides

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.
Publisher
WILEY-V C H VERLAG GMBH
Issue Date
2016-10
Language
ENG
Keywords

DOPED BARIUM ZIRCONATE; HIGH-TEMPERATURE; FUEL-CELLS; PRINCIPLES; MOBILITY; HYDROGEN; CRYSTAL

Citation

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.55, no.43, pp.13499 - 13503

ISSN
1433-7851
DOI
10.1002/anie.201603835
URI
http://hdl.handle.net/10203/214269
Appears in Collection
MS-Journal Papers(저널논문)EEW-Journal Papers(저널논문)
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