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Ar-irradiation effects on graphite thin film revealed from first-principles based simulations
https://repo.qst.go.jp/records/2001765
https://repo.qst.go.jp/records/2001765c9bddc0d-bd5e-4b08-96a9-e7405bca3a95
| アイテムタイプ | 学術雑誌論文 / Journal Article(1) | |||||||
|---|---|---|---|---|---|---|---|---|
| 公開日 | 2025-11-25 | |||||||
| タイトル | ||||||||
| タイトル | Ar-irradiation effects on graphite thin film revealed from first-principles based simulations | |||||||
| 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_6501 | |||||||
| 資源タイプ | journal article | |||||||
| 著者 |
Ikeda Takashi
× Ikeda Takashi
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| 抄録 | ||||||||
| 内容記述タイプ | Abstract | |||||||
| 内容記述 | The Ar-irradiation effects on graphite thin film have been investigated using first-principles MD simulations. We introduced a novel damping medium to avoid artifacts due to periodic boundary conditions. This methodology allows to elucidate the detailed processes of the defect formation. We find that the irradiation of our graphite sample with 380 keV Ar tends to create di-vacancies in graphene sheets. This process is due to intralayer displacements of the C atom targeted by the incoming Ar. The inclusion of di-vacancies in the irradiated samples is proved by comparing our simulated Raman spectra with the experimental ones. | |||||||
| 書誌情報 |
Solid State Sciences 巻 170, p. 108138-1-108138-6, 発行日 2025-12 |
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| 出版者 | ||||||||
| 出版者 | Elsevier | |||||||
| ISSN | ||||||||
| 収録物識別子タイプ | ISSN | |||||||
| 収録物識別子 | 1873-3085 | |||||||
| DOI | ||||||||
| 識別子タイプ | DOI | |||||||
| 関連識別子 | 10.1016/j.solidstatesciences.2025.108138 | |||||||
