Computational mechanistic study of borohydride electrochemical oxidation on Au3Ni(111)

Journal of Physical Chemistry C

Volumn 117, Issue 8, 2013, Pages 3818-3825

  Arevalo, Ryan Lacdao ^a,b   Escaño, Mary Clare Sison ^a   Kasai, Hideaki ^a  

^a OSAKA UNIVERSITY   (Japan)

^b PHILIPPINE NORMAL UNIVERSITY   (Philippines)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DIRECT BOROHYDRIDE FUEL CELLS (DBFC); ELECTROCHEMICAL ELECTRODES; GOLD ALLOYS; MECHANICS;

BOROHYDRIDE OXIDATION; ELECTRODE POTENTIALS; ELEMENTARY REACTION; FIRST-PRINCIPLES CALCULATION; INITIAL ADSORPTION; MECHANISTIC STUDIES; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SURFACE-BOUND SPECIES;

ELECTROCHEMICAL OXIDATION;

EID: 84874583715     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp311904k     Document Type: Article

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