Fig. 2: Solvation structure, conductivity, and electrochemical stability of the investigated electrolytes.

a Distribution of the Li⁺ solvates of FSI electrolytes from MD simulations, showing a percent for a specific solvate Li⁺(PF₆⁻, SL, FEC), only the solvates with populations above 1% are shown for clarity. b X-ray weighted structure factor for TTE, FEC, SL solvents, and FST electrolytes from both MD simulations and experiments at room temperature except for SL (30 °C). c A snapshot of the MD simulation cell at 25 °C with FEC, SL solvents shown as wireframes (gray for C, red for O, green for F, and yellow for S) and TTE diluent highlighted using blue iso-surface, other molecules are shown in the ball-and-stick model where purple balls represent Li⁺ cations and green/brown balls indicate PF₆⁻ anions. d Ionic conductivity of FST electrolytes from experiments and MD simulations. e Cathodic stability of three electrolytes measured using cyclic voltammetry in Li||Cu half cells, the first scan starts from open circuit potential to 0 V vs Li/Li⁺, the following scans are between 1.5 to 0 V vs Li/Li⁺. f Anodic stability of three electrolytes measured using linear scanning voltammetry in Li||Al half cells. The scan rate for CV and LSV tests is 0.5 mV s⁻¹. Source data are provided as a Source Data file.