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Molecular Dynamics Simulation of Chemical Sputtering of Hydrogen Atom on Layer Structured Graphite
http://hdl.handle.net/10655/2477
http://hdl.handle.net/10655/24777d9fe254-21a1-4b6a-9a7c-4889dda353ae
| Item type | 研究報告書 / Research Paper(1) | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2010-02-05 | |||||||||||||||
| タイトル | ||||||||||||||||
| タイトル | Molecular Dynamics Simulation of Chemical Sputtering of Hydrogen Atom on Layer Structured Graphite | |||||||||||||||
| 言語 | en | |||||||||||||||
| 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_18ws | |||||||||||||||
| 資源タイプ | research report | |||||||||||||||
| アクセス権 | ||||||||||||||||
| アクセス権 | metadata only access | |||||||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||||||||||||
| 著者 |
"Ito, A.
× "Ito, A.
× Wang, Y.
× Irle, S.
× Morokuma, K.
× Nakamura, H."
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| 抄録 | ||||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||||
| 内容記述 | "Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 bar{2} 0) surface and zigzag (1 0 bar{1} 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface, graphene layers were peeled off one by one and yielded molecules had chain structures. On the other hand, C_2H_2 and H_2 are dominant yielded molecules on the armchair and zigzag surfaces, respectively. In addition, the interaction of a single hydrogen isotope on a single graphene is investigated. Adsorption, reflection and penetration rates are obtained as functions of incident energy and explain hydrogen retention on layered graphite." | |||||||||||||||
| 書誌情報 |
en : Research Report NIFS-Series 発行日 2008-10-01 |
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| 報告書番号 | ||||||||||||||||
| NIFS-913 | ||||||||||||||||
| ISSN | ||||||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||||||
| 収録物識別子 | 0915-633X | |||||||||||||||
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Cite as
"Ito, A., Wang, Y., Irle, S., Morokuma, K., Nakamura, H.", 2008, Molecular Dynamics Simulation of Chemical Sputtering of Hydrogen Atom on Layer Structured Graphite.
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