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  1. B200 工学部/工学研究科
  2. B200a 雑誌掲載論文
  3. 学術雑誌

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/2237/26935
5b347bb3-f13f-4251-92c8-d348d80e107f
名前 / ファイル ライセンス アクション
Lipre-accepted.pdf Lipre-accepted.pdf ファイル公開:2018/06/01 (833.9 kB)
Item type 学術雑誌論文 / Journal Article(1)
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

WEKO 73354

en Yamaguchi, Tsuyoshi

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Yoshida, Koji

× Yoshida, Koji

WEKO 73355

en Yoshida, Koji

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Yamaguchi, Toshio

× Yamaguchi, Toshio

WEKO 73356

en Yamaguchi, Toshio

Search repository
Kameda, Yasuo

× Kameda, Yasuo

WEKO 73357

en Kameda, Yasuo

Search repository
Ikeda, Kazutaka

× Ikeda, Kazutaka

WEKO 73358

en Ikeda, Kazutaka

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Otomo, Toshiya

× Otomo, Toshiya

WEKO 73359

en Otomo, Toshiya

Search repository
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 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
内容記述タイプ Abstract
出版者
言語 en
出版者 ACS Publications
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
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
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
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