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Chemical bonding of Ag ions in AgI-based superionic conducting glasses
http://hdl.handle.net/10132/3417
http://hdl.handle.net/10132/34172bc10c62-4f15-4964-87f6-82e5e23f413e
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
kowada_2004.pdf (127.7 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2010-07-23 | |||||
| タイトル | ||||||
| タイトル | Chemical bonding of Ag ions in AgI-based superionic conducting glasses | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | superionic conducting glasses | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Ag ion | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | molecular orbital calculation | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | chemical bonding | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | DV-X? method | |||||
| 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 |
Kowada, Y
× Kowada, Y× Okamoto, M× Tanaka, I× Adachi, H× Tatsumisago, M× Minami, T |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | The electronic state of AgI-based superionic conducting glasses was calculated by the DV-Xα cluster method. We have adopted several model clusters with different conduction paths of Ag ions. The electronic state of the similar clusters using Na ions was also calculated for comparison. The net charge of moving cations and the total bond order between the moving cation and the other ions in these model clusters were used for discussion of chemical bonding of the moving cation. The total bond order of the moving Ag ion was decreased with the movement and had a minimum at the middle of the path. The variation of the total bond order of the Ag ion was much smaller than that of the Na ion in any conduction paths. On the other hand, the change of the net charge of the Ag ion with the movement was almost the same as that of the Na ion. These results suggest that the smaller change of the total bond order of the Ag ion should play an important role in the fast ion conduction in AgI-based superionic conducting glasses, rather than the change of the net charge of cations. | |||||
| 書誌情報 |
Journal of Non-Crystalline Solids 巻 345-346, p. 489-493, 発行日 2004-10-15 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 00223093 | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.jnoncrysol.2004.08.071 | |||||
| 権利 | ||||||
| 権利情報 | Copyright 2004 Elsevier B.V. All rights reserved. | |||||
| フォーマット | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | application/pdf | |||||
| 著者版フラグ | ||||||
| 出版タイプ | AM | |||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
| 出版者 | ||||||
| 出版者 | Elsevier | |||||
| 関係URI | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | http://www.elsevier.com/locate/jnoncrysol | |||||
| 関連名称 | http://www.elsevier.com/locate/jnoncrysol | |||||
