The interaction mechanism of CO 2 with CH 3 and H on Cu (1 1 1) surface in synthesis of acetic acid from CH 4/CO 2: A DFT study

Applied Catalysis A: General

Volumn 443-444, Issue , 2012, Pages 50-58

  Zhang, Riguang ^a   Song, Luzhi ^a   Liu, Hongyan ^a   Wang, Baojun ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Acetic acid; Carbon dioxide; Density functional theory; Hydrogen; Methyl

Indexed keywords

ACTIVATION BARRIERS; CU(1 1 1); DFT STUDY; DFT-GGA; DIRECT SYNTHESIS; INTERACTION MECHANISMS; METHYL; OXYGENATED COMPOUNDS; PREFERENTIAL PATHWAYS; REACTION PATHWAYS; SIDE PRODUCTS;

ACETIC ACID; DENSITY FUNCTIONAL THEORY; DYNAMICS; HYDROGEN; PH;

CARBON DIOXIDE;

EID: 84866100880     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2012.07.024     Document Type: Article

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