Modeling solid-electrolyte interfacial phenomena in silicon anodes

Silicon shows promising characteristics to replace graphite as the anode material in Li-ion batteries (LIBs). However addressing the volume changes in silicon during lithiation and the formation of the solid-electrolyte interphase (SEI) at the silicon-based anodes are essential to make this a practical technology. The electrolyte decomposition can lead to a continuous growth of the SEI layer; which in turn serves a double purpose: passivation of the anode surface and barrier for the Li⁺ diffusion. Despite the great importance of the SEI in Si-based anodes on the cycling performance of the LIBs, a deeper understanding of the SEI evolution, composition, and morphology is still lacking. In this article, we briefly review the recent findings in the field of computational materials science regarding the initial stages and growth of the SEI layer on silicon anodes.