Comparative Analysis on Electrode Morphologies in Lithium-Ion Batteries

This technical report presents a comparative analysis on the impact of electrode morphologies on the performance of lithium-ion batteries. It outlines a computational workflow that incorporates realistic representations of graphite morphologies, which enhances the predictive accuracy of battery performance models. The study details the limitations of traditional computational models that simplify graphite flakes as uniformly sized spheres, leading to significant deviations from actual performance. The report explains the development of an automatic Java script for generating three-dimensional transient computational models of lithium-ion battery half-cells, which allows for systematic variation of physical and geometric properties. It documents the creation of different electrode geometries, including monodisperse spheres and polydisperse ellipsoids, and compares their performance against experimental data. The findings emphasize the importance of detailed morphological descriptions in battery design and provide a valuable tool for researchers to bridge theoretical modeling and experimental validation.