Solvation Structure Analysis of Lithium Ion in Concentrated Lithium Salt Solutions Using Raman Spectroscopy

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  • FUJII Kenta
    Graduate School of Sciences and Technology for Innovation
  • FUJINO Hiroki
    Graduate School of Sciences and Technology for Innovation

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  • ラマン分光法によるリチウム塩濃厚電解液中のイオン溶媒和構造解析
  • ラマン ブンコウホウ ニ ヨル リチウムエン ノウコウ デンカイエキ チュウ ノ イオン ヨウバイ ワ コウゾウ カイセキ

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Abstract

<p>Electrolyte solutions are one of the key liquid materials in the development of high-performance lithium-ion batteries (LIBs). Recently, a new concept, “superconcentrated electrolyte”, i.e., solvent-in-salt in liquid state, was proposed and widely investigated in terms of not only electrochemistry, but also physical chemistry and/or solution chemistry. In this work, we report on a structural study of lithium-ion complexes in highly salt-concentrated electrolytes, lithium bis(trifluoromethanesulfonyl)amide (LiTFSA) salt in N,N-dimethylpropionamide (DMPA), using Raman spectroscopy with the aid of density functional theory (DFT) calculations. In the range of the Li salt concentration, cLi = 0 – 3.2 mol dm−3, the individual solvation numbers of DMPA and TFSA species around Li ions [n(DMPA) and n(TFSA), respectively] were quantitatively determined and the relation between the Li ion complex structure and cLi was discussed at the molecular level.</p>

Journal

  • BUNSEKI KAGAKU

    BUNSEKI KAGAKU 67 (12), 727-732, 2018-12-05

    The Japan Society for Analytical Chemistry

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