A theoretical study of CH4 dissociation on pure and gold-alloyed Ni(111) surfaces

Journal of Chemical Physics

Volumn 105, Issue 13, 1996, Pages 5595-5604

  Kratzer, P ^a,b   Hammer, B ^c,d   Norskov J K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^d JT RES CENTER FOR ATOM TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; CHEMICAL BONDS; ELECTRONIC DENSITY OF STATES; GOLD; METHANE; MOLECULAR ORIENTATION; NICKEL; NUMERICAL METHODS; REACTION KINETICS; SURFACES;

BOND RUPTURE; DENSITY FUNCTIONAL THEORY; POTENTIAL ENERGY; REACTION PATHWAY; ZERO POINT ENERGY;

DISSOCIATION;

EID: 0030264083     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472399     Document Type: Article

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