First-principles based microkinetic modeling of borohydride oxidation on a Au(1 1 1) electrode

Journal of Power Sources

Volumn 196, Issue 22, 2011, Pages 9228-9237

  Rostamikia, Gholamreza ^a   Mendoza, Alfonso J ^b   Hickner, Michael A ^b   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Borohydride oxidation; DBFC; DFT; Electrocatalysis; Raman

Indexed keywords

ACTIVATION BARRIERS; AU(1 1 1 ); AU(1 1 1) ELECTRODES; BOROHYDRIDE OXIDATION; BUTLER-VOLMER EQUATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; DISSOCIATION BARRIER; ELEMENTARY STEPS; FIRST-PRINCIPLES; KINETIC CONTROLLED; LINEAR SWEEP VOLTAMMOGRAMS; MICROKINETIC MODELING; MICROKINETIC MODELS; MINIMUM ENERGY PATHS; OXIDATION CURRENTS; POTENTIAL-DEPENDENT; RAMAN; SIMULATION RESULT; STABLE SURFACES; SURFACE ENHANCED RAMAN SPECTROSCOPY; SYMMETRY FACTORS;

CALCULATIONS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTROCATALYSIS; ELECTROMAGNETIC FIELDS; OXIDATION; RAMAN SPECTROSCOPY; RATE CONSTANTS;

REACTION INTERMEDIATES;

EID: 80052497893     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2011.07.042     Document Type: Article

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