Direct molecular dynamics and density-functional theoretical study of the electrochemical hydrogen oxidation reaction and underpotential deposition of H on Pt(1 1 1)

Journal of Electroanalytical Chemistry

Volumn 607, Issue 1-2, 2007, Pages 37-46

  Ishikawa, Yasuyuki ^a   Mateo, Juan J ^a   Tryk, Donald A ^a   Cabrera, Carlos R ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

Ab initio molecular dynamics; Electro oxidation of hydrogen; Underpotential deposition of hydrogen

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTROOXIDATION; HYDROGEN; REDOX REACTIONS;

AB INITIO MOLECULAR DYNAMICS; ELECTROOXIDATION OF HYDROGEN; METAL SURFACES; UNDERPOTENTIAL DEPOSITION OF HYDROGEN;

MOLECULAR DYNAMICS;

EID: 34547423392     PISSN: 15726657     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jelechem.2006.10.011     Document Type: Article

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