| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5423095 | Surface Science | 2012 | 7 Pages |
Abstract
⺠DFT calculations of the structural and electronic properties of bulk Co2C and the stability of low index Co2C surfaces. ⺠Co2C is metastable in Fischer-Tropsch synthesis. ⺠The low index stoichiometric surfaces of Co2C have the decreased stability order of (101) > (011) > (010) > (110) > (100) > (001) = (111). ⺠Non-stoichiometric terminations of the low index (011) and (111) surfaces might be energetically more favorable under reaction conditions.
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Authors
Yong-Hui Zhao, Hai-Yan Su, Keju Sun, Jinxun Liu, Wei-Xue Li,