Density functional theory study of CO adsorption on the (1 0 0), (0 0 1) and (0 1 0) surfaces of Fe3C

Journal of Molecular Catalysis A: Chemical

Volumn 269, Issue 1-2, 2007, Pages 169-178

  Liao, Xiao Yuan ^a   Cao, Dong Bo ^a   Wang, Sheng Guang ^a   Ma, Zhong Yun ^a   Li, Yong Wang ^a   Wang, Jianguo ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b LEIBNIZ INSTITUT FÜR KATALYSE E V AN DER UNIVERSITÄT ROSTOCK   (Germany)

Author keywords

Adsorption; CO; DFT; Fe3C; Fischer Tropsch synthesis

Indexed keywords

ADSORPTION; CARBON MONOXIDE; ELECTRONIC STATES; FISCHER-TROPSCH SYNTHESIS; IRON COMPOUNDS; OLEFINS;

METALLIC SURFACES; STABLE ADSORPTION CONFIGURATION; SURFACE IRON ATOMS; THREE FOLD ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 33947721995     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2007.01.015     Document Type: Article

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