DFT study of the structure sensitivity for the adsorption of methyl, methoxy, and formate on Ni(1 1 1), Ni(1 0 0), and Ni(1 1 0) surfaces

Journal of Molecular Structure: THEOCHEM

Volumn 948, Issue 1-3, 2010, Pages 1-10

  Pang, Xian Yong ^a   Wang, Chen ^a   Zhou, Yu Hua ^b   Zhao, Jin Mo ^b   Wang, Gui Chang ^b  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b NANKAI UNIVERSITY   (China)

Author keywords

Adsorption energy; DFT calculation; Ni surface; Slab model; Structure sensitivity

Indexed keywords

EID: 77950371232     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.01.034     Document Type: Article

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