Role of the solvent in the activation of LiS as cathode material: a DFT study.

Lithium-sulfur batteries are considered one of the possible next-generation energy-storage solutions, but to be commercially available many drawbacks have yet to be solved. One solution with great potentiality is the use of lithium sulfide as cathode material since it can be coupled to Li-free anodes, such as graphite, Si or Sn. Nevertheless, LiS, like sulfur, is electronically and ionically insulating, with a high activation potential for its initial oxidation step.