A DFT study on the adsorption and dissociation of methanol over MoS 2 surface

Journal of Molecular Catalysis A: Chemical

Volumn 338, Issue 1-2, 2011, Pages 44-50

  Chen, Yan Yan ^a,b   Dong, Mei ^a   Qin, Zhangfeng ^a   Wen, Xiao Dong ^a   Fan, Weibin ^a   Wang, Jianguo ^a  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Adsorption; DFT; Dissociation; Methanol; MoS2

Indexed keywords

ACTIVATION BARRIERS; DFT; DFT STUDY; EDGE SITES; METHANOL DISSOCIATION; METHANOL MOLECULES; MOS2; O-H BOND; OXYGEN ATOM; SURFACE SPECIES;

ADSORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLYBDENUM COMPOUNDS; OXYGEN;

METHANOL;

EID: 79952760263     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2011.01.024     Document Type: Article

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