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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 |
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| DCフィールド | 値 | 言語 |
|---|---|---|
| dc.contributor.author | Senami, Masato | en |
| dc.contributor.author | Ikeda, Yuji | en |
| dc.contributor.author | Fukushima, Akinori | en |
| dc.contributor.author | Tachibana, Akitomo | en |
| dc.contributor.alternative | 立花, 明知 | ja |
| dc.date.accessioned | 2012-02-03T05:15:32Z | - |
| dc.date.available | 2012-02-03T05:15:32Z | - |
| dc.date.issued | 2011 | - |
| dc.identifier.issn | 2158-3226 | - |
| dc.identifier.uri | http://hdl.handle.net/2433/152431 | - |
| dc.description.abstract | 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. | en |
| dc.format.mimetype | application/pdf | - |
| dc.language.iso | eng | - |
| dc.publisher | American Institute of Physics | en |
| dc.rights | © 2011 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. | en |
| dc.subject | ab initio calculations | en |
| dc.subject | adsorption | en |
| dc.subject | atom-surface impact | en |
| dc.subject | carbon nanotubes | en |
| dc.subject | charge exchange | en |
| dc.subject | chemical potential | en |
| dc.subject | lithium | en |
| dc.subject | surface states | en |
| dc.title | Theoretical study of adsorption of lithium atom on carbon nanotube | en |
| dc.type | journal article | - |
| dc.type.niitype | Journal Article | - |
| dc.identifier.jtitle | AIP Advances | en |
| dc.identifier.volume | 1 | - |
| dc.identifier.issue | 4 | - |
| dc.relation.doi | 10.1063/1.3651182 | - |
| dc.textversion | publisher | - |
| dc.identifier.artnum | 042106 | - |
| dcterms.accessRights | open access | - |
| 出現コレクション: | 学術雑誌掲載論文等 | |
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