|
|
| 论文编号: |
122214O120120253 |
| 第一作者所在部门: |
908组 |
| 中文论文题目: |
|
| 英文论文题目: |
Energetics of Carbon deposition on Fe(100) and Fe(110) surfaces and subsurfaces
|
| 论文题目英文: |
|
| 作者: |
刘兴武
|
| 论文出处: |
|
| 刊物名称: |
Surface Science
|
| 年: |
2012
|
| 卷: |
606 |
| 期: |
7 |
| 页: |
733-739 |
| 联系作者: |
|
| 收录类别: |
|
| 影响因子: |
1.994
|
| 摘要: |
Spin-polarized density functional theory calculations have been performed to investigate carbon deposition
and carbide formation on Fe(100) and Fe(110) at different carbon coverage. On Fe(100) with increasing car-
bon coverage, the most stable carbon adsorption con？guration changes from surface carbon adsorption to
surface carbon diffusion into subsurface, and surface carbon clustering is not favored thermodynamically.
However, surface carbon clustering is more favored kinetically than carbon diffusion; and carbon diffusion
into subsurface and surface carbon clustering become competitive. On Fe(110) with increasing surface car-
bon coverage, the most stable adsorption con？guration changes from surface carbon adsorption to surface
carbon diffusion into subsurface, and this process is favored both kinetically and thermodynamically, and sur-
face carbon clustering is neither favored nor competitive. Surface carbon deposition might form on Fe(100),
while carbide formation might be found on Fe(110). |
| 英文摘要: |
|
| 外单位作者单位: |
|
| 备注: |
|
关闭窗口 |
|
|
|
