Fig. 3: Solvation structures of electrolytes and their electrochemical behaviors with electrodes.

The radial distribution function (g(r), solid lines) and coordination number (dash lines) for (a) 1.2 m DME, (b) 1.2 m DMC and (c) 1.2 m BMC (The insets are representative Li+ solvation structures extracted from MD simulations. Purple balls stand for Li ions, while gray, white, red, blue, yellow and cyan balls stand for C, H, O, N, S and F atoms respective.). Raman spectra of (d) 1.2 m DME, (e) 1.2 m DMC and (f) 1.2 m BMC in 680-780 cm-1 (S-N-S bending vibration of FSI-) (CIP: contact ion pair; AGG: ion aggregate). g Cyclic voltammetry (CV) curves of 10 mM ferrocene (Fc) dissolved in various electrolytes using Pt as working electrodes at 5 mV s-1. h Li plating/stripping CE obtained from Li | |Cu cells after 10 cycles tests at 0.5 mA cm-2, 1 mAh cm-2 in various electrolytes. i Oxidative stability of various electrolytes measured with Al working electrodes at 1 mV s-1 (The inset is results obtained with Pt working electrodes).