Comparative calculation on Li+ solvation in common organic electrolyte solvents for lithium ion batteries
Liu Qi, Wu Feng †, Mu Daobin ‡, Wu Borong
       

(a) The solvation structure models of nDOL-Li+, nDME-Li+, and nTHF-Li+. White, dark gray, violet, and red spheres represent H, C, Li, and O ions/atoms, respectively. Theoretical Raman spectra of (b) DOL, (c) DME, and (d) THF solvation Li+ complexes with different Li+ concentration.