A periodic density functional theory study of the dehydrogenation of methanol over CuCl(1 1 1) surface

Applied Surface Science

Volumn 254, Issue 15, 2008, Pages 4421-4431

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

^a FUZHOU UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Adsorption; CuCl(1 1 1) surface; Density functional theory; Methanol

Indexed keywords

ADSORPTION; COPPER COMPOUNDS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; METHANOL;

CHEMISORPTION ENERGIES; CUCL; GENERALIZED GRADIENT APPROXIMATION; METHOXIDE;

SURFACE CHEMISTRY;

EID: 43049088754     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2008.01.001     Document Type: Article

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