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Phase Behaviors and Ion Transport Properties of LiN(SO2CF3)2/Sulfone Binary Mixtures (Supporting Information)

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posted on 2023-03-13, 05:25 authored by Ryoichi TATARA, Yosuke UGATA, Shuhei MIYAZAKI, Natsuki KISHIDA, Shohei SASAGAWA, Kazuhide UENO, Seiji TSUZUKI, Masayoshi WATANABE, Kaoru DOKKO

Highly concentrated Li salt/aprotic solvent solutions are promising electrolytes for next-generation batteries. Understanding the Li+ ion transport process is crucial for designing novel battery electrolytes. In this study, we systematically investigated the phase behavior, solvate structures, and Li+ transport properties of binary mixtures comprising lithium bis(trifluoromethanesulfonyl)amide (LiTFSA) and various sulfones, such as sulfolane (SL), 3-methyl sulfolane (MSL), dimethyl sulfone (DMS), ethyl methyl sulfone (EMS), and ethyl isopropyl sulfone (EiPS). Except for the MSL system, the [LiTFSA]/[sulfone] = 1/2 mixtures remained in a liquid state at room temperature, thus enabling a systematic comparison of the Li+ transport properties in the highly concentrated electrolytes. In highly concentrated liquid electrolytes, Li+ ions diffuse by exchanging ligands (sulfone and TFSA). Li+ ions diffuse faster than TFSA in all electrolytes except the EiPS-based electrolyte at a composition of [LiTFSA]/[sulfone] = 1/2, resulting in high Li+ transference numbers. SL-based electrolytes show higher ionic conductivity and Li+ transference numbers than other sulfone-based electrolytes. Consequently, sulfone solvents with compact molecular sizes and low energy barriers of conformational change are favorable for enhancing the Li+ ion transport in the electrolytes.

Funding

Interface Ionics : Fabrication of model systems and their fundamental ion dynamics

Japan Society for the Promotion of Science

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Electric double layer in nanospace: Integration of statistic analyses of experimental and simulation data

Japan Society for the Promotion of Science

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Creation of an innovative electrolyte membrane using ion hopping conduction of lithium salt solvate

Japan Society for the Promotion of Science

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Positive electrode insoluble lithium-sulfur battery team

Japan Science and Technology Agency

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Corresponding author email address

dokko-kaoru-js@ynu.ac.jp

Copyright

© 2023 The Author(s).

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