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

被引：19
作者：
SNIS, A [1 ]
PANAS, I [1 ]
STROMBERG, D [1 ]
机构：
[1] CHALMERS UNIV TECHNOL,S-41296 GOTHENBURG,SWEDEN
来源：
SURFACE SCIENCE | 1994年 / 310卷 / 1-3期
关键词：
D O I：
10.1016/0039-6028(94)91354-4
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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) 3171. A 32 kcal/mol barrier for reaction is calculated. Adsorbed oxygen, O(ads), to surface vibration frequencies in the range 840-930 cm-1 are calculated. These values are in qualitative agreement with experiment.
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页码：L579 / L582
页数：4
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