期刊論文
| 學年 | 91 |
|---|---|
| 學期 | 2 |
| 出版（發表）日期 | 2003-03-01 |
| 作品名稱 | Ab initio calculations of dimensional and adsorbate effects on the workfunction of single-walled carbon nanotube |
| 作品名稱（其他語言） | |
| 著者 | Chen, Chun-wei; Lee, Ming-hsien |
| 單位 | 淡江大學物理學系 |
| 出版者 | Elsevier |
| 著錄名稱、卷期、頁數 | Diamond and Related Materials 12(3-7), pp.565-571 |
| 摘要 | The workfunctions of single-walled carbon nanotubes (SWNTs) with various geometries and adsorbates have been calculated by the ab initio plane-wave, pseudopotential method. The infinitely-long, capped, open-ended, and close-ended nanotubes show the workfunctions of 4.73, 4.8, 4.43 and 3.75 eV, respectively, and these results exhibit a good agreement with experiments. The effects of participation of foreign adsorbates on the nanotube surface both physically and chemically on the variations of workfunctions have also been studied. In the physisorption process, the electrostatic interaction between adsorbates and nanotubes leads to surface charge redistribution and to workfunction variations. In the chemisorption process, various values in workfunction can be understood in terms of the surface dipole of the terminated bond. |
| 關鍵字 | Carbon nanotube; Filed emission; Workfunction; Simulation |
| 語言 | en |
| ISSN | 0925-9635 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | Chen, Chun-wei |
| 審稿制度 | 是 |
| 國別 | CHE |
| 公開徵稿 | |
| 出版型式 | 電子版 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27458 ) |