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First-Principles Study on the Graphene Adatom and its Dimer
https://doi.org/10.24517/00065550
https://doi.org/10.24517/000655506e5a2d28-a6e6-4892-b7e4-fcd938ad1c58
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
SC-PR-SAITO-M-6_269.pdf (366.8 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||||
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| 公開日 | 2022-03-10 | |||||||
| タイトル | ||||||||
| タイトル | First-Principles Study on the Graphene Adatom and its Dimer | |||||||
| 言語 | ||||||||
| 言語 | eng | |||||||
| 資源タイプ | ||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||
| 資源タイプ | journal article | |||||||
| ID登録 | ||||||||
| ID登録 | 10.24517/00065550 | |||||||
| ID登録タイプ | JaLC | |||||||
| 著者 |
Uramoto, Yuk
× Uramoto, Yuk× Saito, Mineo |
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| 著者別表示 |
斎藤, 峯雄
× 斎藤, 峯雄
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| 提供者所属 | ||||||||
| 内容記述タイプ | Other | |||||||
| 内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 | |||||||
| 書誌情報 |
e-Journal of Surface Science and Nanotechnology 巻 6, p. 269-271, 発行日 2008-12-13 |
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| ISSN | ||||||||
| 収録物識別子タイプ | ISSN | |||||||
| 収録物識別子 | 1348-0391 | |||||||
| DOI | ||||||||
| 関連タイプ | isIdenticalTo | |||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | 10.1380/ejssnt.2008.269 | |||||||
| 出版者 | ||||||||
| 出版者 | 日本表面真空学会 The Japan Society of Vacuum and Surface Science | |||||||
| 抄録 | ||||||||
| 内容記述タイプ | Abstract | |||||||
| 内容記述 | The stabilities and atomic geometries of the graphene adatom and its dimer are studied using first-principles calculations based on the density functional theory. In the most stable structure, the adatom is located above the bond-center site. We also found a metastable structure whose formation energy is slightly (0.25 eV) higher than the most stable structure. The diffusion barrier of the adatom is estimated to be 0.44 eV. Then, dimers are expected to be formed by the diffusion of the adatom. The dimer has three stable structures whose formation energies are close to each other. Since the dissociation energies of these structures are large (5.90-5.93 eV), the dimers are energetically stable. Therefore these structures are expected to be detected under some experimental conditions. [DOI: 10.1380/ejssnt.2008.269] | |||||||
| 権利 | ||||||||
| 権利情報 | CC BY-NC-ND 4.0 | |||||||
| 権利 | ||||||||
| 権利情報 | Copyright © The Japan Society of Vacuum and Surface Science | |||||||
| 著者版フラグ | ||||||||
| 出版タイプ | VoR | |||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||
| 関連URI | ||||||||
| 識別子タイプ | URI | |||||||
| 関連識別子 | https://www.jstage.jst.go.jp/browse/ejssnt/-char/en | |||||||
| 関連名称 | https://www.jstage.jst.go.jp/browse/ejssnt/-char/en | |||||||
| 関連URI | ||||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | https://doi.org/10.1380/ejssnt.2008.269 | |||||||
| 関連名称 | https://doi.org/10.1380/ejssnt.2008.269 | |||||||
| 関連URI | ||||||||
| 識別子タイプ | URI | |||||||
| 関連識別子 | https://www.jvss.jp | |||||||
| 関連名称 | https://www.jvss.jp | |||||||
