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Electronic state of sulfide-based lithium ion conducting glasses
http://hdl.handle.net/10132/3412
http://hdl.handle.net/10132/3412ca05c6bc-da73-4b4e-843d-be07e2c5c4aa
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
kowada_2008_01_15.pdf (312.8 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2010-07-23 | |||||
| タイトル | ||||||
| タイトル | Electronic state of sulfide-based lithium ion conducting glasses | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Fast ion conduction | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Ab initio | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Density functional theory | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | Molecular orbital | |||||
| 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× Tatsumisago, M× Minami, T× Adachi, H |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Electronic states of the sulfide-based lithium ion conducting glasses were calculated by the DV-Xα cluster method. The cluster models were constructed by the coordination number reported by experimental methods and the bond length estimated from the ionic radii of each ion. The movement of the Li ion was simulated by several model clusters with different positions of the moving ion. The relationship between ionic conductivity and the differential total bond overlap population (DBOP) was discussed for the sulfide-based glasses in the systems Li2S-SiS2-Al2S3 and Li2S-SiS2-P2S5. In these glasses, the DBOP with the movement of the lithium ion had good negative correlations with the ionic conductivities and positive correlations with the activation energies obtained by the experimental measurements. In any cases, the smaller change of the total bond overlap population of the moving cations played an important role for the fast ion movement in the superionic conducting glasses. This bonding state of the moving cations is one of the characteristics of the electronic state in the sulfide-based lithium ion conducting glasses. | |||||
| 書誌情報 |
Journal of Non-Crystalline Solids 巻 354, p. 360-364, 発行日 2008-01-15 |
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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.2007.07.085 | |||||
| 権利 | ||||||
| 権利情報 | Copyright 2007 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 | |||||
