First principles mechanistic study of borohydride oxidation over the Pt(1 1 1) surface

Electrochimica Acta

Volumn 55, Issue 3, 2010, Pages 1175-1183

  Rostamikia, Gholamreza ^a   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

Author keywords

Borohydride; DBFC; DFT; Electrocatalysis; Platinum

Indexed keywords

ADSORPTION ENERGIES; AU(1 1 1 ); BOROHYDRIDE; BOROHYDRIDE OXIDATION; BOROHYDRIDES; DBFC; DENSITY FUNCTIONAL THEORY METHODS; DFT METHOD; FIRST-PRINCIPLES; GASEOUS HYDROGEN; HYDROLYSIS REACTION; INITIAL ADSORPTION; MECHANISTIC STUDIES; PLATINUM ELECTRODES; PT(111); PURE METALS; SURFACE COVERAGES;

ADSORPTION; DENSITY FUNCTIONAL THEORY; DIRECT BOROHYDRIDE FUEL CELLS (DBFC); ELECTROCATALYSIS; ELECTRODES; OXIDATION; PROBABILITY DENSITY FUNCTION; SURFACE REACTIONS;

PLATINUM;

EID: 70549089129     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2009.10.002     Document Type: Article

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