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Title
Scaling reducibility of metal oxides
Authors
Keywords
Metal oxide, Rocksalt MgO, Sc<sub>2</sub>O<sub>3</sub>, Y<sub>2</sub>O<sub>3</sub>, TiO<sub>2</sub>, Rutile, Anatase, m-ZrO<sub>2</sub>, m-HfO<sub>2</sub>, CeO<sub>2</sub>, V<sub>2</sub>O<sub>5</sub>, Nb<sub>2</sub>O<sub>5</sub>, Ta<sub>2</sub>O<sub>5</sub>, WO<sub>3</sub>, CrO<sub>3</sub>, Al<sub>2</sub>O<sub>3</sub>, β-Ga<sub>2</sub>O<sub>3</sub>, SiO<sub>2</sub>, SnO<sub>2</sub> and ZnO, Oxygen vacancy formation, F-center, Electron localization, Reducibility, B3LYP, PBE+U
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 136, Issue 9, Pages -
Publisher
Springer Nature
Online
2017-08-23
DOI
10.1007/s00214-017-2130-y
References
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