Mechanistic understanding of hydrogenation of acetaldehyde on Au(111): A DFT investigation

Surface Science

Volumn 606, Issue 21-22, 2012, Pages 1608-1617

  Meng, Qingsen ^a   Shen, Yongli ^a   Xu, Jing ^b   Ma, Xinbin ^a   Gong, Jinlong ^a  

^a TIANJIN UNIVERSITY   (China)

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

Author keywords

Acetaldehyde; Density functional theory; Gold catalysis; Hydrogenation; Reaction mechanism

Indexed keywords

ATOMIC HYDROGEN; AU(1 1 1 ); COUPLING REACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; ETHOXYETHANOL; EXPERIMENTAL OBSERVATION; GOLD CATALYSIS; HEMIACETALS; HYDROGENATION PRODUCTS; ISOTOPIC MEASUREMENT; REACTION CONDITIONS; REACTION MECHANISM; REACTION PATHWAYS; REACTION SCHEMES; SURFACE SPECIES;

ACETALDEHYDE; ACTIVATION ENERGY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DEUTERIUM; ETHANOL; ETHYLENE GLYCOL; HYDROGEN; SURFACE REACTIONS;

HYDROGENATION;

EID: 84865212518     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.06.014     Document Type: Article

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