Solvent effects on adsorption of CO over CuCl(1 1 1) surface: A density functional theory study

Applied Surface Science

Volumn 256, Issue 22, 2010, Pages 6717-6722

  Zhang, Riguang ^a   Ling, Lixia ^a   Wang, Baojun ^a   Huang, Wei ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption; Carbon monoxide; CuCl(1 1 1); Density functional theory; Solvent effects

Indexed keywords

ADSORPTION; CARBON MONOXIDE; CARBONYLATION; CHEMICAL BONDS; COPPER COMPOUNDS; DICHLOROMETHANE; SOLVENTS;

ADSORPTION ENERGIES; CUCL(1 1 1); DENSITY FUNCTIONAL THEORY STUDIES; DIELECTRIC RESPONSE; OXIDATIVE CARBONYLATION; SOLVENT EFFECTS; SOLVENT ENVIRONMENTS; STRUCTURAL PARAMETER;

DENSITY FUNCTIONAL THEORY;

EID: 77955661061     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.04.079     Document Type: Article

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