Adsorption and dissociation of O 2 on CuCl(1 1 1) surface: A density functional theory study

Applied Surface Science

Volumn 258, Issue 1, 2011, Pages 408-413

  Zhang, Riguang ^a   Liu, Hongyan ^a   Wang, Baojun ^a   Ren, Jun ^a   Li, Zhong ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption; CuCl(1 1 1); Density functional theory; Dissociation; Oxygen

Indexed keywords

ADSORPTION; ATOMS; CARBONYLATION; CATALYST ACTIVITY; CHLORINE COMPOUNDS; COPPER COMPOUNDS; DISSOCIATION; OXYGEN;

ACTIVATION BARRIERS; ADSORPTION ENERGIES; CATALYTIC MECHANISMS; CUCL(1 1 1); DENSITY FUNCTIONAL THEORY STUDIES; DISSOCIATION PATHWAYS; OPTIMIZED GEOMETRIES; OXIDATIVE CARBONYLATION OF METHANOLS;

DENSITY FUNCTIONAL THEORY;

EID: 80054731652     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.08.130     Document Type: Article

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