Modeling of lithium deposition and dissolution during battery cycling

Abstract

Lithium is an attractive battery anode material due to its potential for high- energy- d. storage applications. However the development of lithium metal batteries in secondary (rechargeable) batteries has been hindered by the propensity for dendritic depositions during the battery recharging process. The growth of these lithium dendrites leads to battery degrdn. and failure. The mol. mechanisms assocd. with dendrite initiation and growth have yet to be fully understood. We develop a coarse- grained particle- based simulation model for the lithium battery charging and discharging process. This model will allow us to connect the microscopic details of lithium plating and unplating to dendrite formation. Simulations provide insight to the effect of c.d., surface diffusion, and modulus of the electrolyte on the morphol. of the plated particles. These insights will aid us in designing new strategies to inhibit dendrite formation and improve the safety and efficiency of lithium metal anodes.