Open AccessInterdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO3−δ Perovskites Studied by Density Functional Theory
Author(s) -
Maximilian F. Hoedl,
Denis Gryaznov,
Rotraut Merkle,
E. A. Kotomin,
Joachim Maier
Publication year - 2020
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.0c01924
Subject(s) - density functional theory , ionic bonding , oxide , valence (chemistry) , oxygen , ion , electronic structure , chemistry , fermi level , materials science , inorganic chemistry , chemical physics , atomic physics , electron , computational chemistry , physics , organic chemistry , quantum mechanics
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