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Analysis of Prepeak Structure of Concentrated Organic Lithium Electrolyte by Means of Neutron Diffraction with Isotopic Substitution and Molecular Dynamics Simulation
http://hdl.handle.net/2237/26935
http://hdl.handle.net/2237/269355b347bb3-f13f-4251-92c8-d348d80e107f
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
Lipre-accepted.pdf ファイル公開：2018/06/01 (833.9 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2017-09-04 | |||||
| タイトル | ||||||
| タイトル | Analysis of Prepeak Structure of Concentrated Organic Lithium Electrolyte by Means of Neutron Diffraction with Isotopic Substitution and Molecular Dynamics Simulation | |||||
| 言語 | en | |||||
| 著者 |
Yamaguchi, Tsuyoshi
× Yamaguchi, Tsuyoshi× Yoshida, Koji× Yamaguchi, Toshio× Kameda, Yasuo× Ikeda, Kazutaka× Otomo, Toshiya |
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| アクセス権 | ||||||
| アクセス権 | open access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
| 権利 | ||||||
| 言語 | en | |||||
| 権利情報 | “This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Journal of Physical Chemistry B], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [http://pubs.acs.org/articlesonrequest/AOR-YpHq5cSNJRhvnhWFvGjF].” | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | The prepeak structure of a 3 mol/kg solution of LiClO4 in propylene carbonate (PC) was studied by both neutron diffraction with isotopic substitution (NDIS) and molecular dynamics (MD) simulation. The NDIS data showed that the intensity of the prepeak decreases experimentally with an increase in the scattering length of the lithium atom from 7Li to 6Li in PC-d6. On the other hand, although the prepeak was observed in solutions of both PC-d6 and PC-h6, it disappears when the 1:1 mixture of PC-d6 and PC-h6 was used as the solvent. The prepeak structure and its variation with the isotope substitution were reproduced well by MD simulation, and they were explained in terms of the contrast of the scattering length densities of the ionic and nonpolar domains. | |||||
| 言語 | en | |||||
| 出版者 | ||||||
| 出版者 | ACS Publications | |||||
| 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 | |||||
| 出版タイプ | ||||||
| 出版タイプ | AM | |||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | https://doi.org/10.1021/acs.jpcb.7b00686 | |||||
| ISSN | ||||||
| 収録物識別子タイプ | PISSN | |||||
| 収録物識別子 | 1520-6106 | |||||
| 書誌情報 |
en : Journal of Physical Chemistry B 巻 121, 号 21, p. 5355-5362, 発行日 2017-06-01 |
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| 著者版フラグ | ||||||
| 値 | author | |||||
| URI | ||||||
| 識別子 | http://doi.org/10.1021/acs.jpcb.7b00686 | |||||
| 識別子タイプ | DOI | |||||
| URI | ||||||
| 識別子 | http://hdl.handle.net/2237/26935 | |||||
| 識別子タイプ | HDL | |||||
