Hydrogenation of cyclohexene over Ru-Zn/Ru(0 0 0 1) surface alloy: A first principles density functional study

Journal of Molecular Catalysis A: Chemical

Volumn 301, Issue 1-2, 2009, Pages 140-145

  Yuan, Pei Qing ^a   Wang, Bing Qiang ^b   Ma, Yue Ming ^a   He, Hui Min ^a   Cheng, Zhen Min ^a   Yuan, Wei Kang ^a  

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

^b Shanghai Supercomputer Center   (China)

Author keywords

Benzene; DFT; Partial hydrogenation; Surface alloy

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; ALLOYS; ATOMS; BENZENE; CATALYSIS; CATALYSTS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; HYDROGENATION; OLEFINS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SINGLE CRYSTAL SURFACES; SULFUR COMPOUNDS; ZINC; ZINC ALLOYS;

ADSORPTION AND REACTIONS; ADSORPTION CAPABILITIES; ALLOY CATALYSTS; CATALYTIC MECHANISMS; CYCLOHEXENE; DENSITY-FUNCTIONAL STUDIES; DFT; DFT STUDIES; FIRST PRINCIPLES; PARTIAL HYDROGENATION; RELATIVE POSITIONS; SURFACE ALLOY; ZN ATOMS;

RUTHENIUM ALLOYS;

EID: 61349157295     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2008.11.028     Document Type: Article

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