Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5422845 | Surface Science | 2012 | 8 Pages |
Abstract
⺠We study oxygen chemisorption on β-Mo2C surface and its oxidation by DFT. ⺠(101) surface is more active than the (011) surface towards oxygen adsorption. ⺠(011) surface can be covered by 1/2 or 7/8 ML oxygen. ⺠(101) surface can be fully oxidized to be 1 ML by oxygen. ⺠Low temperature and high oxidant pressure favor the surface oxidation.
Related Topics
Physical Sciences and Engineering
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Authors
Xue-Rong Shi, Sheng-Guang Wang, Jia Hu, Zhangfeng Qin, Jianguo Wang,