First principles study of adsorption and dissociation of CO on W(111)

Journal of Physical Chemistry B

Volumn 110, Issue 3, 2006, Pages 1344-1349

  Chen, Liang ^a,b   Sholl, David S ^a,c   Johnson, J Karl ^a,b  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b University of Pittsburgh   (United States)

^c CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DIFFUSION; DISSOCIATION; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY; TUNGSTEN;

DENSITY FUNCTIONAL THEORY (DFT); ROOM TEMPERATURE (RT); SELF-POISONING PROCESS; STATE ADSORPTION;

CARBON MONOXIDE;

EID: 33644557737     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055374z     Document Type: Article

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