Effect of Zn2+/Zn layer on H2 dissociation on Ruthenium (0001) surface: A first principles density functional study

Journal of Molecular Structure: THEOCHEM

Volumn 807, Issue 1-3, 2007, Pages 185-189

  Yuan, Pei Qing ^a   Ma, Yue Ming ^a   Cheng, Zhen Min ^a   Zhu, Yi An ^a   Yuan, Wei Kang ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Ab initio; DFT calculations; H2 dissociation; Partial hydrogenation

Indexed keywords

EID: 33847128851     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.12.023     Document Type: Article

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