Fig. 2: Experimental and theoretical studies of electrolyte solvation structures.
From: High-voltage and intrinsically safe electrolytes for Li metal batteries
a Natural abundance 7Li NMR spectra of STD, CME, and VSE electrolytes. b Raman spectra of CME and VSE electrolytes. c The ratio of different solution structures in various solvents calculated from (b). d–f Snapshots of the MD simulation for the representative solvation structures. Colors for different elements: Li, green; S, yellow; P, light pink; O, red; N, blue; F, light blue; H, light gray; and C, dark gray. g–i RDFs g(r) of Li+-F and Li+-O pairs of STD, CME, and VSE electrolytes, respectively.
