Methyl formate pathway in methanol steam reforming on copper: Density functional calculations

ACS Catalysis

Volumn 1, Issue 10, 2011, Pages 1263-1271

  Lin, Sen ^a   Xie, Daiqian ^a   Guo, Hua ^b  

^a NANJING UNIVERSITY   (China)

^b UNIVERSITY OF NEW MEXICO   (United States)

Author keywords

Cu(111); DFT; methanol steam reforming; methyl formate

Indexed keywords

ADSORPTION ENERGIES; COPPER CATALYST; CU(1 1 1); DFT; EXPERIMENTAL OBSERVATION; METHANOL STEAM REFORMING; METHYL FORMATE; PLANE WAVE DENSITY FUNCTIONAL THEORY; THEORETICAL MODELS;

ADSORPTION; CARBON DIOXIDE; CATALYSTS; COPPER; DENSITY FUNCTIONAL THEORY; DESORPTION; FORMALDEHYDE; FORMIC ACID; HYDROLYSIS; METHANOL; STEAM; STEAM ENGINEERING;

STEAM REFORMING;

EID: 80053931389     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs200311t     Document Type: Article

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