Comparative calculation on Li<sup>+</sup> solvation in common organic electrolyte solvents for lithium ion batteries

Comparative calculation on Li⁺ solvation in common organic electrolyte solvents for lithium ion batteries

Liu Qi, Wu Feng^†, Mu Daobin^‡, Wu Borong

(a) The ΔG plots for Li⁺ solvation reactions with EC, PC, and DMC respectively. Theoretical infrared spectra of (b) EC, (c) PC, and (d) DMC solvation Li⁺ complexes with different solvent numbers.