Factors Governing Oxygen Vacancy Formation in Oxide Perovskites

The control of oxygen vacancy (VO) formation is critical to advancing multiple metal-oxide-perovskite-based technologies. We report the construction of a compact linear model for the neutral VO formation energy in ABO3 perovskites that reproduces, with reasonable fidelity, Hubbard-U-corrected densit...

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Bibliographic Details
Published in:Journal of the American Chemical Society Vol. 143; no. 33; p. 13212
Main Authors: Wexler, Robert B, Gautam, Gopalakrishnan Sai, Stechel, Ellen B, Carter, Emily A
Format: Journal Article
Language:English
Published: 25.08.2021
ISSN:1520-5126, 1520-5126
Online Access:Get more information
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