Figure 1: DFT calculation of the reaction chemistry of Li-SO2 batteries.

(a) Energy diagrams for electrochemical reduction reaction of SO2 gas under EC/DMC and TEGDME. (b) Energy profiles for ICF of chemical EC decomposition reaction by O2− (blue) and SO2− (red). (c) Reaction pathway between SO2− and lithium ions with corresponding energy profiles under EC/DMC (red) and TEGDME (blue).