The reaction mechanism with free energy barriers at constant potentials for the oxygen evolution reaction at the IrO2 (110) surface

Journal of the American Chemical Society

Volumn 139, Issue 1, 2017, Pages 149-155

  Ping, Yuan ^a,b   Nielsen, Robert J ^a   Goddard, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CATALYST ACTIVITY; CHARGE TRANSFER; FREE ENERGY; OXYGEN; PHOTOELECTROCHEMICAL CELLS; REACTION RATES;

ACIDIC CONDITIONS; CHARGE TRANSFER PROCESS; CONSTANT POTENTIAL; FIRST-PRINCIPLES CALCULATION; IMPLICIT SOLVATIONS; MICROKINETIC MODELS; OXYGEN EVOLUTION REACTION; REACTION MECHANISM;

IRIDIUM COMPOUNDS;

CALCULATION; CHEMICAL REACTION KINETICS; EXPERIMENTAL MODEL; OXYGEN EVOLUTION; REACTION ANALYSIS; SOLVATION;

EID: 85015613698     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.6b07557     Document Type: Article

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