Fig. 1. Design of the interaction between the anion in salt and the additive. (a) Schematic illustrations of the PEO/NaTFSI and PEO/NaTFSI/Na3SbS4 electrolytes where the interactions between Na3SbS4 and TFSI− anions are highlighted by red dotted lines. (b) The optimized configuration, adsorption energy, and (c) differential charge density of NaTFSI adsorbed on Na3SbS4; the isosurface value is set to 0.0001 e Bohr−3.
