Effects of Li ion-solvent interaction on ionic transport and electrochemical properties in highly concentrated cyclic carbonate electrolytes

Elucidation of Liquid Structures and Transport Properties of Highly Concentrated LiN(SO2F)2/Ethylene Carbonate Electrolytes

“…This is probably due to the stable Li + -(EC) n complex formation by the strong attraction between Li + and EC. The binding energy obtained by the MP2/6-311G** level ab initio calculation is 47.1 kcal/mol . The thermal stability of the electrolytes depends on the ratio of solvated EC to free EC.…”

“…The binding energy obtained by the MP2/6-311G** level ab initio calculation is 47.1 kcal/ mol. 20 The thermal stability of the electrolytes depends on the ratio of solvated EC to free EC. Molecular dynamics simulations of electrolytes composed of EC and LiFSA show a significant increase in the enthalpy of vaporization with the increased LiFSA concentraion.…”

“…12,19 In contrast to the SL and sulfones based electrolytes, only little were studied on the Li + conduction in carbonate-based highly concentrated electrolytes. 20 In this study, we investigated physicochemical properties of an electrolyte composed of EC and LiFSA with changing molar composition of [EC]/[LiFSA] from 9.2 to 0.8 until the limit of the solubility was reached. We found Li + hopping conduction in the highly concentrated electrolyte similar to the SL-based electrolyte.…”

“…They also reported the self-diffusion coefficients in the electrolyte composed of fluoroethylene carbonate (FEC) and LiFSA with the same molar composition. The order of the self-diffusion coefficients in the electrolyte is D FSA < D Li < D FEC …”

Nonflammable Fluorinated Ester-Based Electrolytes for Safe and High-Energy Batteries with LiCoO2

“…As shown in Table S1, the MTFP-based electrolyte exhibits a higher Li + ion transference number than that of the EC/DMC-based electrolyte. This fact would be ascribed to the weakly solvating ability of MTFP to Li + ion, which enhances strongly correlated ion motions of Li + cations and PF 6 – anions. , The higher Li + ion transference number of the MTFP-based electrolyte would suppress the growth of the concentration gradient of Li salt across the electrode and electrolyte during discharge at high current density, − resulting in comparable rate capability with the conventional EC/DMC-based electrolyte.…”