A DFT + U study of CO oxidation at CeO2(110) and (111) surfaces with oxygen vacancies

Surface Science

Volumn 618, Issue , 2013, Pages 140-147

  Song, Ya Ling ^a   Yin, Li Li ^a   Zhang, Jie ^a   Hu, P ^a   Gong, Xue Qing ^a   Lu, Guanzhong ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Cerium dioxide; CO oxidation; DFT + U; Electron localization; Oxygen vacancy; Reaction mechanism

Indexed keywords

CERIUM DIOXIDES; CO OXIDATION; DFT + U; ELECTRON LOCALIZATIONS; REACTION MECHANISM;

CARBON DIOXIDE; OXYGEN VACANCIES;

OXIDATION;

EID: 84885671044     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2013.09.001     Document Type: Article

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