A computational study of H 2 dissociation and CO adsorption on the Pt ML /WC(0 0 0 1) surface

Applied Surface Science

Volumn 256, Issue 24, 2010, Pages 7400-7405

  Ma, Chun'An ^a   Liu, Ting ^a   Chen, Litao ^a  

^a ZHEJIANG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Carbide; Density functional theory; Dissociation; Hydrogen molecule; Monoxide carbon

Indexed keywords

ACTIVATION ENERGY; ADHESION; ADSORPTION; CARBIDES; CHEMICAL BONDS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLECULES; STRUCTURAL OPTIMIZATION;

COMPUTATIONAL STUDIES; DISSOCIATION CHANNELS; HYDROGEN MOLECULE; INTERFACIAL GEOMETRY; INTERFACIAL STRUCTURES; PARTIAL DENSITY OF STATE; PSEUDOMORPHIC MONOLAYERS; RELATIVE STABILITIES;

PLATINUM COMPOUNDS;

EID: 77955425865     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.05.080     Document Type: Article

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