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Abstraction of preadsorbed oxygen from CaO(100) by carbon monoxide
- Snis, Anders (author)
-
- Panas, Itai, 1959 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
-
- Strömberg, Dan, 1959 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för miljövetenskap och kulturvård,Department of Environmental Science and Conservation,University of Gothenburg
- (creator_code:org_t)
- 1994
- 1994
- English.
- In: Surf Sci Lett. - 0039-6028. ; 310:1-3
- Journal article (peer-reviewed)
Abstract
Subject headings
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- The mechanism for abstraction of preadsorbed oxygen from CaO(100) by CO(g) to form CO2(g) is investigated by electronic structure calculations. The reaction mechanism is assumed to be the reverse of the one obtained for the decomposition of N2O(g) at CaO(100) [Surf. Sci 292 (1993) 317]. A 32 kcal/mol barrier for reaction is calculated. Adsorbed oxygen, Oads, to surface vibration frequencies in the range 840–930 cm−1 are calculated. These values are in qualitative agreement with experiment.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Naturresursteknik -- Annan naturresursteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Environmental Engineering -- Other Environmental Engineering (hsv//eng)
Keyword
- theoretical calculations
- surface
- carbon monoxide
- carbon dioxide
- mechanism
- adsoprtion
- carbon monoxide
Publication and Content Type
- ref (subject category)
- art (subject category)
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