Surface structure and reaction property of CuCl 2 -PdCl 2 bimetallic catalyst in methanol oxycarbonylation: A DFT approach

Applied Surface Science

Volumn 292, Issue , 2014, Pages 117-127

  Meng, Qingsen ^a   Wang, Shengping ^a   Shen, Yongli ^a   Yan, Bing ^a   Wu, Yuanxin ^b   Ma, Xinbin ^a  

^a TIANJIN UNIVERSITY   (China)

^b WUHAN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Dimethyl carbonate; Mechanism; Methanol

Indexed keywords

ATOMS; CARBONYLATION; CATALYSTS; CHEMICAL ACTIVATION; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; MECHANISMS; METHANOL; OXIDATION; PALLADIUM; PALLADIUM COMPOUNDS; SURFACE REACTIONS; SURFACE STRUCTURE;

ACTIVATION BARRIERS; BIMETALLIC CATALYSTS; DIMETHYL CARBONATE; EXOTHERMIC PROCESS; OXIDATIVE CARBONYLATION; RATE-LIMITING STEPS; REACTION MECHANISM; WACKER-TYPE CATALYSTS; PDCL2-CUCL2;

COPPER COMPOUNDS;

EID: 84893673084     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.11.096     Document Type: Article

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