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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| Published in: | Journal of the American Chemical Society Vol. 143; no. 33; p. 13212 |
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| Main Authors: | , , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
25.08.2021
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| ISSN: | 1520-5126, 1520-5126 |
| Online Access: | Get more information |
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