In order to obtain a new interpretation of the @SUBLIME direction in which all partners are actively involved, efforts are being made to model the solid electrolyte interface formation of sulfide electrolyte and lithium metal anode for solid-state batteries.

Obtained results are addressed to SUBLIME’s fifth open access publication Unveiling Solid Electrolyte Interphase Formation at the Molecular Level: Computational Insights into Bare Li-Metal Anode and Li6PS5–xSexCl Argyrodite Solid Electrolyte.

This work of sulfide solid-state battery allows for the battery community to gain unprecedented insights into the process of solid electrolyte interface (SEI) formation process of Se-substituted Li6PS5Cl via the long-scale ab initio molecular dynamics simulations.