金属锂负极溶剂化结构调控的研究进展
张硕, 丁俊凡, 许睿, 黄佳琦

Progress on the Solvation Structure Regulation of Li Ion for Stable Lithium Metal Anode
ZHANG Shuo, DING Junfan, XU Rui, HUANG Jiaqi
Fig.4 Solvation structures in conventional electrolyte, superconcentrated electrolyte(SCE), localized superconcentrated electrolyte(LSCE), and weakly solvating electrolyte(WSE)(A) [ 57], solvation structure of 1 mol/L LiFSI/DME, 1 mol/L LiFSI/DMB and 1 mol/L LiFSI/FDMB given by MD simulations and the corresponding average ratio of solvation bindings from FSI - anions to those from solvents in the solvation sheath(B) [ 85], proposed desolvation mechanisms and corresponding Li + binding energies obtained from quantum chemistry simulations in 1 mol/L LiFSI DOL/DME and 1 mol/L LiFSI DEE(C) [ 90] and statistical results of anion⁃solvent number in the first solvent sheath of Li + in 1.5 mol/L LiFSI DMMS electrolyte(D) [ 91]
(A) Copyright 2020, John Wiley and Sons; (B) Copyright 2020, Springer Nature; (C) Copyright 2021, Springer Nature; (D) Copyright 2022, the Royal Society of Chemistry.