Computational studies of solid electrolyte interphase formation

Recent years have seen a large increase in research activities related with Lithium-ion battery technology. Current systems are critically dependent on the formation of passivating films at the solid/liquid interface, the so-called solid electrolyte interphase (SEI). We review here atomic-scale computational investigations into the formation of such layers, as well as SEI-related studies on solvation, intercalation, and electrolyte materials screening.