Influence of the Composition of Liquid Electrolyte on Its Transport Properties According to Pulsed-Field-Gradient NMR, Conductometry, and Quantum Chemical Modeling Data

To study processes at the nanocomposite/electrolyte interfaces, electrolytes based on LiBF4 and LiN(CF3SO2)2 in gamma-butyrolactone, dioxolane, and dimethoxyethane have been investigated by 1H, 7Li, and 19F pulsed-field-gradient NMR and by conductometry. The found activation energies of diffusion and conductivity, as well as quantum chemical calculations of the binding energies of solvation complexes of the lithium cation with the surface of SiO2 nanoparticles indicate that solvation is facilitated at the nanocomposite interface in 1 M LiN(CF3SO2)2 in dioxolane/dimethoxyethane and hindered at the interface with 1 M LiBF4 in gamma-butyrolactone.