Characterization of methanethiolate on some transition metals: A first-principle density functional theory study

Journal of Molecular Structure: THEOCHEM

Volumn 862, Issue 1-3, 2008, Pages 80-84

  Jiao, Jiao ^a   Bu, Shao Yue ^a   Wang, Gui Chang ^a   Bu, Xian He ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

Adsorption energy; CH3S chemisorption; D band center; DFT calculation; Slab model

Indexed keywords

EID: 46749156196     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.04.034     Document Type: Article

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