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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| qua.26004.pdf | 1.11 MB | Adobe PDF | 見る/開く |
| タイトル: | The effect of electric current on chemical bonding of hydrogen adsorption on an aluminum nanowire |
| 著者: | Senami, Masato    https://orcid.org/0000-0002-2121-5049 (unconfirmed)Matsunaga, Shunji |
| 著者名の別形: | 瀬波, 大土 松永, 隼治 |
| キーワード: | aluminum nanowire chemical bonding electric conduction hydrogen adsorption hydrogen economy |
| 発行日: | 15-Nov-2019 |
| 出版者: | Wiley |
| 誌名: | International Journal of Quantum Chemistry |
| 巻: | 119 |
| 号: | 22 |
| 論文番号: | e26004 |
| 抄録: | The effect of electric current on hydrogen adsorption on an aluminum nanowire surface is studied by using nonequilibrium Green's function method. We choose the models studied in the previous work of one of the authors as an aluminum nanowire model and a hydrogen‐adsorbed one. These nanowire models have conductive ability, because the aluminum part of these models is metallic. It is confirmed that electric current affects the strength of the adsorption of hydrogen atoms, and the change of the bonding of hydrogen to aluminum nanowire surface is larger for larger current. However, the change of the chemical bonding is negligibly small within the bias voltage ≤0.5 V. |
| 著作権等: | This is the peer reviewed version of the following article: International Journal of Quantum Chemistry, 119(22), e26004 , which has been published in final form at https://doi.org/10.1002/qua.26004. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. The full-text file will be made open to the public on 10 October 2020 in accordance with publisher's 'Terms and Conditions for Self-Archiving'. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 This is not the published version. Please cite only the published version. |
| URI: | http://hdl.handle.net/2433/244805 |
| DOI(出版社版): | 10.1002/qua.26004 |
| 出現コレクション: | 学術雑誌掲載論文等 |
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