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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| 1.3651182.pdf | 1.22 MB | Adobe PDF | 見る/開く |
| タイトル: | Theoretical study of adsorption of lithium atom on carbon nanotube |
| 著者: | Senami, Masato    https://orcid.org/0000-0002-2121-5049 (unconfirmed)Ikeda, Yuji Fukushima, Akinori Tachibana, Akitomo |
| 著者名の別形: | 立花, 明知 |
| キーワード: | ab initio calculations adsorption atom-surface impact carbon nanotubes charge exchange chemical potential lithium surface states |
| 発行日: | 2011 |
| 出版者: | American Institute of Physics |
| 誌名: | AIP Advances |
| 巻: | 1 |
| 号: | 4 |
| 論文番号: | 042106 |
| 抄録: | We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsive force between lithium atoms destabilizes a system for the large number of lithium atoms. |
| 著作権等: | © 2011 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. |
| URI: | http://hdl.handle.net/2433/152431 |
| DOI(出版社版): | 10.1063/1.3651182 |
| 出現コレクション: | 学術雑誌掲載論文等 |
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