Scaling Reducibility of Metal Oxides
Theoretical Chemistry Accounts（2017）
Key words
Metal oxide,Rocksalt MgO,Sc2O3,Y2O3,TiO2,Rutile,Anatase,m-ZrO2,m-HfO2,CeO2,V2O5,Nb2O5,Ta2O5,WO3,CrO3,Al2O3,β-Ga2O3,SiO2,SnO2 and ZnO,Oxygen vacancy formation,F-center,Electron localization,Reducibility,B3LYP,PBE+U
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