Mechanistic insights into selective oxidation of ethanol on Au(111): A DFT study

Cuihua Xuebao/Chinese Journal of Catalysis

Volumn 33, Issue 3, 2012, Pages 407-415

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

^a TIANJIN UNIVERSITY   (China)

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

Author keywords

Au(111) surface; Density functional theory; Ethanol; Mechanism; Selective oxidation

Indexed keywords

ACETALDEHYDE; ACTIVATION ENERGY; ATOMS; CHEMICAL ACTIVATION; ETHANOL; MECHANISMS; OXIDATION; OXYGEN; SURFACE REACTIONS; TEMPERATURE;

ADSORBED OXYGEN; ADSORPTION SITE; AU(111) SURFACES; HIGH-ACTIVATION; LOW TEMPERATURES; REACTION MECHANISM; SELECTIVE OXIDATION; SURFACE HYDROXYL;

DENSITY FUNCTIONAL THEORY;

EID: 84860347293     PISSN: 02539837     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1872-2067(11)60340-9     Document Type: Article

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