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To understand the factors governing the Li+ transference number tLi, we investigated the influence of the ion–solvent interactions, Li ion coordination, and correlations of ion motions on the Li+ transference number in glyme (Gn, n = 1–4)- and sulfolane (SL)-based molten Li salt solvate electrolytes with lithium bis(trifluoromethansulfonyl)amide (LiTFSA). For the 1 : 1 tetraglyme-LiTFSA molten complex, [Li(G4)][TFSA], the Li+ transference number estimated using the potentiostatic polarisation method (tPPLi = 0.028) was considerably lower than that estimated using the self-diffusion coefficient data with pulsed filed gradient (PFG)-NMR (tNMRLi = 0.52). 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Solvent effects on Li ion transference number and dynamic ion correlations in glyme- and sulfolane-based molten Li salt solvates
http://hdl.handle.net/10131/00013337
http://hdl.handle.net/10131/0001333786a7c850-03b4-4b7b-bb03-e54d04238f74
Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2020-07-02 | |||||
タイトル | ||||||
タイトル | Solvent effects on Li ion transference number and dynamic ion correlations in glyme- and sulfolane-based molten Li salt solvates | |||||
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 | |||||
アクセス権 | ||||||
アクセス権 | metadata only access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
著者 |
Keisuke, Shigenobu
× Keisuke, Shigenobu× Kaoru, Dokko× Masayoshi, Watanabe× Kazuhide, Ueno |
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著者所属 | ||||||
Department of Chemistry and Life Science,Yokohama National University | ||||||
著者所属 | ||||||
Department of Chemistry and Life Science,Yokohama National University | ||||||
著者所属 | ||||||
Institute of Advanced Sciences, Yokohama National University | ||||||
著者所属 | ||||||
Department of Chemistry and Life Science,Yokohama National University | ||||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The Li+ transference number of electrolytes is one of the key factors contributing to the enhancement in the charge–discharge performance of Li secondary batteries. However, a design principle to achieve a high Li+ transference number has not been established for liquid electrolytes. To understand the factors governing the Li+ transference number tLi, we investigated the influence of the ion–solvent interactions, Li ion coordination, and correlations of ion motions on the Li+ transference number in glyme (Gn, n = 1–4)- and sulfolane (SL)-based molten Li salt solvate electrolytes with lithium bis(trifluoromethansulfonyl)amide (LiTFSA). For the 1 : 1 tetraglyme-LiTFSA molten complex, [Li(G4)][TFSA], the Li+ transference number estimated using the potentiostatic polarisation method (tPPLi = 0.028) was considerably lower than that estimated using the self-diffusion coefficient data with pulsed filed gradient (PFG)-NMR (tNMRLi = 0.52). The dynamic ion correlations (i.e., cation–cation, anion–anion, and cation–anion cross-correlations) were determined from the experimental data on the basis of Roling and Bedrov's concentrated solution theory, and the results suggest that the strongly negative cross-correlations of the ion motions (especially for cation–cation motions) are responsible for the extremely low tPPLi of [Li(G4)][TFSA]. In contrast, tPPLi is larger than tNMRLi in the SL-based electrolytes. The high tPPLi of the SL-based electrolytes was ascribed to the substantially weaker anti-correlations of cation–cation and cation–anion motions. Whereas the translational motions of the long-lived [Li(glyme)]+ and [TFSA]− dominate the ionic conduction for [Li(G4)][TFSA], Li ion hopping/exchange conduction was reported to be prevalent in the SL-based electrolytes. The unique Li ion conduction mechanism is considered to contribute to the less correlated cation–cation and cation–anion motions in SL-based electrolytes. | |||||
書誌情報 |
Physical chemistry, chemical physics 発行日 2020-06-29 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 14639076 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA11301773 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1039/d0cp02181d | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
出版者 | ||||||
出版者 | Royal Society of Chemistry | |||||
関係URI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1039/D0CP02181D | |||||
関連名称 | https://doi.org/10.1039/D0CP02181D |