Reaction mechanism for methanol oxidation on Au(1 1 1): A density functional theory study

Applied Surface Science

Volumn 265, Issue , 2013, Pages 443-451

  Liu, Shuping ^a,b   Jin, Peng ^c   Zhang, Donghui ^b   Hao, Ce ^a   Yang, Xueming ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^c HEBEI UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional calculations; Esterification; Gold catalysis; Methanol; Oxidation

Indexed keywords

ESTERIFICATION; ESTERS; FORMALDEHYDE; METHANOL; OXIDATION; OXYGEN; REACTION INTERMEDIATES;

ADSORPTION GEOMETRIES; DENSITY FUNCTIONAL THEORY STUDIES; GOLD CATALYSIS; HIGH OXYGEN COVERAGE; METHANOL OXIDATION; METHANOL OXIDATION REACTIONS; PRODUCT DISTRIBUTIONS; REACTION MECHANISM;

DENSITY FUNCTIONAL THEORY;

EID: 84871936765     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.11.026     Document Type: Article

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