The effects of C2-methylation of imidazolium-based ionic liquid electrolytes on the lithium-ion transport
Journal of Molecular Liquids（2023）
摘要
•Two SILEs both with 0.25 M fraction of LiTFSI were investigated by MD simulations.•A methyl substitution of the H-atom bonded to C2-atom in BMIM+ favors the existence of non-AGG Li+.•Transference number of Li+ tends to change in a desired way upon C2-methylation.
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关键词
Molecular dynamics simulation,Ionic liquid,Electrolyte,C2-methylation,Transference number
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