Simulation and Modelling of the Solid Electrolyte Interphase with Varying Porosity

Abstract

We extend a popular approach in SEI modeling by refraining from using a single reaction interface. Instead we trace the time evolution of the SEI volume fraction in a spatially resolved way. In this study, we test how neutral lithium interstitial diffusion can explain the continuous growth of the SEI. We observe that transport of neutral lithium interstitials, as estimated by DFT calculation, is too slow to explain the growth of SEI layers with several tens of nanometer thickness. In future work, this spatially resolved transport and reaction framework will be used to study more realistic transport mechanisms.