ABSTRACTION OF PREADSORBED OXYGEN FROM CAO(100) BY CARBON-MONOXIDE

Authors
SNIS A PANAS I STROMBERG D
Citation
A. Snis et al., ABSTRACTION OF PREADSORBED OXYGEN FROM CAO(100) BY CARBON-MONOXIDE, Surface science, 310(1-3), 1994, pp. 120000579-120000582
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
310
Issue
1-3
Year of publication
1994
Pages
120000579 - 120000582
Database
ISI
SICI code
0039-6028(1994)310:1-3<120000579:AOPOFC>2.0.ZU;2-S
Abstract
The mechanism for abstraction of preadsorbed oxygen from CaO(100) by C O(g) to form CO2(g) is investigated by electronic structure calculatio ns. The reaction mechanism is assumed to be the reverse of the one obt ained for the decomposition of N2O(g) at CaO(100) [Surf. Sci 292 (1993 ) 3171. A 32 kcal/mol barrier for reaction is calculated. Adsorbed oxy gen, O(ads), to surface vibration frequencies in the range 840-930 cm- 1 are calculated. These values are in qualitative agreement with exper iment.