| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5361301 | Applied Surface Science | 2012 | 6 Pages |
Abstract
⺠The CO oxidation on Cu(3 1 1) surface was investigated by density functional theory computations. ⺠O2 dissociation is highly dependent on the orientation and site of the adsorbed oxygen molecule. ⺠The energetically most favorable site for CO molecule on Cu(3 1 1) is the step edge. ⺠The reaction barrier of CO + O â CO2 is about 0.3 eV lower than that of CO + O2 â CO2 + O.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Shuping Liu, Peng Jin, Ce Hao, Donghui Zhang, Xueming Yang, Shuling Chen,