Multiscale Simulations for Lithium-Ion Batteries: SEI Film Growth and Capacity Fading

The solid electrolyte interphase (SEI) film is a key material for lithium-ion battery high cycle performance and safety. In this study, we developed a multiscale model for simulating the 2+1 dimensional SEI film growth in lithium-ion batteries by combining a single particle model and a kinetic Monte Carlo model. The developed model can simulate hundreds of charge and discharge cycles while simultaneously considering the effect of surface defects on SEI film growth and capacity fading. The results of our simulations show that the SEI film effect is large, and we propose that understanding and controlling SEI film growth is important for the improvement of lithium-ion battery cycle performance and safety.