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| 論文名稱 | New structural model for Na6Si3 surface magic cluster on the Si(111)-7 × 7 surface |
| 發表日期 | 2013-10-01 |
| 論文收錄分類 | SCI |
| 所有作者 | Jyh-Pin Chou、Cheng-Ron Hsing、Jen-Chang Chen、Jing-Yee Lee、Ching-Ming Wei |
| 作者順序 | 第四(以上)作者 |
| 通訊作者 | 是 |
| 刊物名稱 | Surface Science |
| 發表卷數 | 616 |
| 是否具有審稿制度 | 是 |
| 發表期數 | |
| 期刊或學報出版地國別/地區 | NATNLD-荷蘭王國 |
| 發表年份 | 2013 |
| 發表月份 | 10 |
| 發表形式 | 紙本及電子期刊 |
| 所屬計劃案 | 無 |
| 可公開文檔 |
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| 可公開文檔 |
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| 可公開文檔 |
[英文摘要] :
The adsorption of Na atoms on the Si(111)-7 × 7 surface is studied using first-principles calculations. Compared to the Triangle-Trimer model reported previously, we propose a more stable and robust Na6Si3 Hexagon-Trimer model which has six Na atoms with hexagon shape and three Si edge adatoms moving inward to form a trimer. The total energy of Hexagon-Trimer model is 0.252 eV lower than that of Triangle-Trimer model and 0.552 eV lower than that of Hexagon model. The simulated STM images of Hexagon-Trimer model are in good agreement with experimental STM observations. The most probable formation process of Hexagon-Trimer model is analyzed. The reaction is catalyzed by a Na atom and the energy barrier is reduced from 0.89 to 0.44 eV. These results have provided a complete picture for the formation mechanism of Na6Si3 surface magic clusters on the Si(111)-7 × 7 surface.
