Multiscale modeling of dendrite formation in lithium-ion batteries

Abstract

The commercialization of Lithium-ion batteries (LIBs) with Li metal anode has reached an impasse due to the unpredictable dendrite growth, which significantly deteriorates the battery performance. Previous studies show that dendrite growth is affected by the interplay among many factors, but the complex interaction between these factors has not been adequately addressed in the literature. In this work, we fill this knowledge gap by proposing a multiscale model for LIBs. Specifically, a kinetic Monte Carlo model describing dendrite formation at microscopic level is integrated with a macroscopic electrochemical model. Overall, the proposed model can (a) generate the evolution of macroscopic variables such as current density, Li-ion concentration, cell voltage, and state of charge, (b) explain their effects on the evolution of microscopic variables such as dendrite growth on the Li anode, and (c) provide a platform for optimal operation of LIBs to mitigate dendrite growth.