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| 论文编号: |
O120090005 |
| 第一作者所在部门: |
908组 |
| 中文论文题目: |
Interaction of alkali metals with the Fe3O4(111) Surface
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| 英文论文题目: |
Interaction of alkali metals with the Fe3O4(111) Surface
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| 论文题目英文: |
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| 作者: |
杨 涛 温晓东 李永旺 王建国 焦海军
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| 论文出处: |
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| 刊物名称: |
Surface Science
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| 年: |
2009
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| 卷: |
603 |
| 期: |
1 |
| 页: |
78-83 |
| 联系作者: |
焦海军 |
| 收录类别: |
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| 影响因子: |
1.713
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| 摘要: |
The adsorption and interaction of alkali metals (Li, Na, K, Rb and Cs) with the Fetet1-terminated Fe3O4(111) surface have been computed at the level of density functional theory. At low coverage, adsorption of alkali metals on site-1 (Oa–Oc–Od) is energetically more favorable than on site-2 (Oa–Oc–Od). Li has the strongest adsorption energy, followed by K, Rb, Cs and Na. The computed net charges show that the alkali metals can donate electrons to surface Fe and O atoms in the order of Li < Na < K _ Rb _ Cs. It is also noted that increasing the coverage does not significantly improve the promoting effect of alkali metals. In addition, alkali metals can move facilely on the Fe3O4(111) surface. |
| 英文摘要: |
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| 外单位作者单位: |
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| 备注: |
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