First-Principles Study of Oxygen Evolution Reaction on the Oxygen-Containing Species Covered CoII-Exposing Co3O4 (100) Surface

Catalysis Letters

Volumn 145, Issue 5, 2015, Pages 1169-1176

  Zhang, Pengxiang ^a   Dong, Yue ^a   Kou, Yongli ^a   Yang, Zuoyin ^a   Li, Yaping ^a   Sun, Xiaoming ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Bader charge; Cobalt oxide; Density functional theory; Theory overpotential

Indexed keywords

CALCULATIONS; FREE ENERGY; MONOLAYERS; OXYGEN;

BADER CHARGE; CATALYTIC PERFORMANCE; COBALT OXIDES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; OVERPOTENTIAL; OXYGEN EVOLUTION REACTION; OXYGEN-CONTAINING SPECIES;

DENSITY FUNCTIONAL THEORY;

EID: 84947019868     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-015-1512-9     Document Type: Article

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