Density functional theory study of CO and hydrogen Co-adsorption on the Fe(111) surface

Journal of Physical Chemistry C

Volumn 111, Issue 11, 2007, Pages 4305-4314

  Zhong Yun, Ma ^a   Huo, Chun Fang ^a   Liao, Xiao Yuan ^a   Li, Yong Wang ^a   Wang, Jianguo ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON MONOXIDE; COBALT; HYDROGEN; HYDROGENATION; IRON COMPOUNDS;

ADSORPTION CONFIGURATIONS; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 34047275146     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp066575l     Document Type: Article

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