Abstract: Electrification of the transportation sector is heavily dependent on the lithium ion batteries. However, further improvements in their performance is necessary for complete replacement of gasoline engines and/or electrification of the aviation and marine industries. Energy density and cycle life of lithium ion batteries depend not only on the structural chemistry of the material, but also how it is synthesized. Synthesis conditions dictate the morphology of the cathode and anode particles, which further influence its capacity and rate of degradation.

In the present project, a computational framework is being developed that attempts to predict particle morphology based on detailed characterization of the synthesis of battery relevant materials.