{"created":"2024-02-05T01:26:52.109139+00:00","id":2000232,"links":{},"metadata":{"_buckets":{"deposit":"d59a9983-365c-4f64-9d4a-76a66384d073"},"_deposit":{"created_by":17,"id":"2000232","owner":"17","owners":[17],"pid":{"revision_id":0,"type":"depid","value":"2000232"},"status":"published"},"_oai":{"id":"oai:ynu.repo.nii.ac.jp:02000232","sets":["1006:1009","495:496"]},"author_link":[],"control_number":"2000232","item_2_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2023-11-28","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"48","bibliographicNumberOfPages":"12","bibliographicPageEnd":"10433","bibliographicPageStart":"10422","bibliographicVolumeNumber":"127","bibliographic_titles":[{"bibliographic_title":"The Journal of Physical Chemistry B","bibliographic_titleLang":"en"}]}]},"item_2_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Single-ion conducting liquid electrolytes are key to achieving rapid charge/discharge in Li secondary batteries. The Li+ transference (or transport) numbers are the defining properties of such electrolytes and have been discussed in the framework of concentrated solution theories. However, the connection between macroscopic transference and microscopic ion dynamics remains unclear. Molecular dynamics simulations were performed to obtain direct information regarding the microscopic behaviors in highly concentrated electrolytes, and the relationships between these behaviors and the transference number were determined under anion-blocking conditions. Various solvents with different donor numbers (DNs) were used along with a Li salt of the weakly Lewis basic bis(fluorosulfonyl)amide anion for electrolyte preparation. Favorable ordered Li+ structuring and a continuous Li+ conduction pathway were observed for the fluoroethylene carbonate-based electrolyte due to its low DN. The properties were less pronounced at higher DNs, e.g., for the dimethyl sulfoxide-based electrolyte. The τLi–solventlife/τdipolerelax ratio was introduced as a factor for ion dynamics, and the two mechanisms of ion transport were considered an exchange mechanism (τLi–solventlife/τdipolerelax < 1) and a vehicle mechanism (translational motion of solvated Li+) (τLi–solventlife/τdipolerelax ≥ 1). Vehicle-type transport was dominant with high DNs, while exchangeable transport was preferable at lower DNs. These findings should aid the further selection of solvents and Li salts to prepare single-ion conducting electrolytes.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_2_publisher_35":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Chemical Society"}]},"item_2_relation_13":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1021/acs.jpcb.3c05864","subitem_relation_type_select":"DOI"}}]},"item_2_rights_14":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"This document is the Accepted Manuscript version of a Published Work that appeared in final form in J. Phys. Chem. B, copyright © 2023 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/articlesonrequest/AOR-XQEE2QAPUEDAGBWNIEPT .","subitem_rights_language":"en","subitem_rights_resource":"https://pubs.acs.org/page/copyright/journals/posting_policies.html"}]},"item_2_source_id_11":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA11114073","subitem_source_identifier_type":"NCID"}]},"item_2_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"15205207","subitem_source_identifier_type":"EISSN"}]},"item_2_version_type_18":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"embargoed 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University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Frederik, Philippi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0002-0127-8923","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0002-0127-8923"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Department of Chemistry and Life Science, Yokohama National University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Taku, Sudoh","creatorNameLang":"en"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Department of Chemistry and Life Science, Yokohama National University","affiliationNameLang":"en"},{"affiliationName":"Advanced Chemical Energy Research Centre (ACERC), Institute of Advanced Sciences, Yokohama National University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Yosuke, Ugata","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0002-8233-6725","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0002-8233-6725"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Department of Chemistry and Life Science, Yokohama National University","affiliationNameLang":"en"}]},{"affiliationNames":[{"affiliationName":"Advanced Chemical Energy Research Centre (ACERC), Institute of Advanced Sciences, Yokohama National University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Kaoru, Dokko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0002-9622-4345","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0002-9622-4345"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Advanced Chemical Energy Research Centre (ACERC), Institute of Advanced Sciences, Yokohama National University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Masayoshi, Watanabe","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0003-4092-6150","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0003-4092-6150"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Department of Chemistry and Life Science, Yokohama National University","affiliationNameLang":"en"}]},{"affiliationNames":[{"affiliationName":"Advanced Chemical Energy Research Centre (ACERC), Institute of Advanced Sciences","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Kazuhide, Ueno","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0002-4684-5717","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0002-4684-5717"}]},{"creatorAffiliations":[{"affiliationNames":[{"affiliationName":"Research Institute for Interdisciplinary Science, Okayama University","affiliationNameLang":"en"}]}],"creatorNames":[{"creatorName":"Wataru, Shinoda","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"0000-0002-3388-9227","nameIdentifierScheme":"ORCID","nameIdentifierURI":"https://orcid.org/0000-0002-3388-9227"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2024-11-29"}],"displaytype":"detail","fileDate":[{"fileDateType":"Issued","fileDateValue":"2023-11-28"}],"filename":"Manuscript File_R2.pdf","filesize":[{"value":"4.1 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://ynu.repo.nii.ac.jp/record/2000232/files/Manuscript File_R2.pdf"},"version_id":"458698d4-2ec9-4280-8aaf-af6469b4ad00"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Chemical structure, Electrolytes, Ions, Molecular structure, Solvents","subitem_subject_language":"en","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Molecular Level Origin of Ion Dynamics in Highly Concentrated Electrolytes","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Molecular Level Origin of Ion Dynamics in Highly Concentrated Electrolytes","subitem_title_language":"en"}]},"item_type_id":"2","owner":"17","path":["496","1009"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2024-02-05"},"publish_date":"2024-02-05","publish_status":"0","recid":"2000232","relation_version_is_last":true,"title":["Molecular Level Origin of Ion Dynamics in Highly Concentrated Electrolytes"],"weko_creator_id":"17","weko_shared_id":-1},"updated":"2024-06-20T02:58:21.372950+00:00"}