Deactivation of Cu2O(100) by CO Poisoning |
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| Authors: | Sampyo Hong Duy Le Talat Rahman |
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| Affiliation: | 1. Department of Physics, University of Central Florida, Orlando, FL, 32816, USA
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| Abstract: | 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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