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Bonding Nature of LiCoO2 by Topological Analysis of Electron Density from X-ray Diffraction
http://hdl.handle.net/2241/00130901
http://hdl.handle.net/2241/00130901386cd629-d86a-4f7c-9905-a9368205f334
名前 / ファイル | ライセンス | アクション |
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Electrochemistry_83-10 (1.4 MB)
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Item type | Journal Article(1) | |||||
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公開日 | 2015-12-04 | |||||
タイトル | ||||||
タイトル | Bonding Nature of LiCoO2 by Topological Analysis of Electron Density from X-ray Diffraction | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
NISHIBORI, Eiji
× NISHIBORI, Eiji× SHIBATA, Takayuki× KOBAYASHI, Wataru× MORITOMO, Yutaka |
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著者別名 |
西堀, 英治
× 西堀, 英治× 小林, 航× 守友, 浩 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Electron density distributions of LiCoO2 have been determined by Maximum Entropy method (MEM) and multipole modeling from synchrotron x-ray powder diffraction data. The localization of Co-3d electrons was clearly visualized in the deformation MEM density. An electron density by multipole modeling was investigated by the Bader’s topological analysis to reveal bonding characteristics and interactions between the constituted atoms. | |||||
書誌情報 |
Electrochemistry 巻 83, 号 10, p. 840-842, 発行日 2015-10 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1344-3542 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AN00151637 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.5796/electrochemistry.83.840 | |||||
権利 | ||||||
権利情報 | © The Electrochemical Society of Japan | |||||
著者版フラグ | ||||||
値 | author | |||||
出版者 | ||||||
出版者 | 電気化学会 | |||||
出版者別名 | ||||||
出版者 | The Electrochemical Society of Japan |