Prediction of the dependence of the fuel cell oxygen reduction reactions on operating voltage from DFT calculations

Journal of Physical Chemistry C

Volumn 116, Issue 10, 2012, Pages 6166-6173

  Sha, Yao ^a   Yu, Ted H ^a   Merinov, Boris V ^a   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); DFT CALCULATION; ELECTROCHEMICAL POTENTIAL; ELECTRON-TRANSFER REACTIONS; OPERATING VOLTAGE; OXYGEN REDUCTION REACTION; PT-CATALYZED; REACTION BARRIERS; REACTION STEPS;

DENSITY FUNCTIONAL THEORY; PLATINUM;

ELECTROLYTIC REDUCTION;

EID: 84858309797     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp207526u     Document Type: Article

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