Deactivation of Cu2O(100) by CO Poisoning

被引：0
|
作者：
Sampyo Hong
Duy Le
Talat Rahman
机构：
[1] University of Central Florida,Department of Physics
来源：
Topics in Catalysis | 2013年 / 56卷
关键词：
Kinetic Monte Carlo simulations; Cu; O; CO oxidation; Reaction kinetics; CO poisoning;
D O I：
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学科分类号：
摘要：
We have performed kinetic Monte Carlo (KMC) simulations of 13 reaction processes for CO oxidation on the O-terminated Cu2O(100) surface to calculate the conversion rate of CO to CO2. We find that CO adsorption at O vacancy sites prevents dissociative adsorption of O2 onto the Cu2O(100) surface and accordingly CO oxidation of the Cu2O(100) surface is poisoned by CO. As a result, we could obtain a 100 % conversion rate only for a brief period of time.
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页码：1082 / 1087
页数：5
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