A DFT study on the formation of CH 3 O on Cu 2 O(1 1 1) surface by CH 3 OH decomposition in the absence or presence of oxygen

Applied Surface Science

Volumn 257, Issue 9, 2011, Pages 4232-4238

  Riguang, Zhang ^a   Hongyan, Liu ^a   Lixia, Ling ^a   Zhong, Li ^a   Baojun, Wang ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Methanol; Methoxyl; Oxygen precovered

Indexed keywords

CHEMICAL ACTIVATION; CHEMICAL BONDS; COPPER OXIDES; METHANOL; OXYGEN;

ACTIVATION BARRIERS; BOND SCISSIONS; DENSITY FUNCTIONAL THEORY METHODS; FORMATION MECHANISM; FORMATION PATHWAYS; METHOXYL; MICROSCOPIC LEVELS; SURFACE REACTIVITY;

DENSITY FUNCTIONAL THEORY;

EID: 78951470097     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.12.026     Document Type: Article

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