Adsorption of H2O, OH, and O on CuCl(111) surface: A density functional theory study

Chinese Journal of Chemical Physics

Volumn 21, Issue 1, 2008, Pages

  Wang, Xia ^a   Chen, Wen Kai ^a   Sun, Bao Zhen ^a   Lu, Chun Hai ^b  

^a FUZHOU UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Adsorption; CuCl; Density functional theory; H2O

Indexed keywords

ADSORPTION; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY;

CUCL; DENSITY FUNCTIONAL THEORY STUDIES; DENSITY-OF-STATES ANALYSIS; DISSOCIATION PRODUCTS; GEOMETRY OPTIMIZATION; MULLIKEN POPULATION ANALYSIS; POSSIBLE MECHANISMS; SURFACE HYDROXYL GROUPS;

COPPER COMPOUNDS;

EID: 43049151469     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/21/01/39-44     Document Type: Article

References (27)