A numerical study on striped lithiation of tin oxide anodes

摘要

High energy storage capacity of tin oxide (SnO2) makes it a promising anode material for high capacity lithium (Li)-ion batteries. Previous experiments reported by Nie et al. (2013) and Huang et al. (2010) have shown that SnO2 lithiation occurs in two stages. First, Li diffuses rapidly through distinct narrow stripes along the electrode axis. This is followed by a second stage where the diffusion/amorphization of the nanowire occurs. In order to understand and possibly predict this complex chemo-mechanical phenomenon, a finite element (FE) model is developed in this work. The model captures the formation of the striped diffusion regime and the corresponding expansion of the nanowire during the lithiation of SnO2. The effect of the stress on the Li diffusion is modeled at the macroscopic level by implementing a stress-dependent expression for the diffusion coefficient. The modeling results clearly show the formation of the striped diffusion regime due to the induced stresses, at low concentrations of Li. This results in a small strain of 0.017 within the nanowire followed by a bulk diffusion and expansion at higher Li concentrations. Thus, the model allows for the spatiotemporally resolved analysis of Li diffusion/intercalation and helps predicting its influence on the mechanical performance of the electrode under the realistic operational conditions. Published by Elsevier Ltd.