A first-principles study of oxygen formation over NiFe-layered double hydroxides surface

Catalysis Letters

Volumn 145, Issue 8, 2015, Pages 1541-1548

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

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Density functional theory; Density of states; Energy barriers; Oxygen evolution reaction; Reaction mechanism

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; GAS ADSORPTION; IRON COMPOUNDS; OXYGEN; OXYGEN EVOLUTION REACTION;

DENSITY OF STATE; ELECTRON TRANSPORTATION; FIRST-PRINCIPLES STUDY; HIGH-ENERGY BARRIERS; LAYERED DOUBLE HYDROXIDES; OXYGEN EVOLUTION REACTION (OER); PARTIAL DENSITY OF STATE; REACTION MECHANISM;

NICKEL COMPOUNDS;

EID: 84975278145     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-015-1561-0     Document Type: Article

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