Three-Dimensional Microstructure Modeling of Lithium Deposition and Dendrite Formation during Automotive Relevant Cycling

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Dendrites generally form during rapid charging of lithium-ion batteries when lithium plating is favored over intercalation. If not removed during discharging cycles, the potential exists for dendrites to grow through the separator and short between the anode and cathode. One metric for diagnosing lithium plating conditions in a computational model is the minimum local potential at the anode, where lithium plating is seen to be thermodynamically favorable below 0.0 V with respect to Li metal. [1-2] Three-dimensional (3D) microstructure model can provide insight to predict the possibility of local lithium plating as well as the possible formation of dendrites. This model can also be used as a tool to detect possible global lithium plating onset. The moving boundary technique with mesh movement can be employed to separate the electrolyte region into a liquid phase and a solid phase.[3] This approach is applied in our 3D microstructure model of a lithium-ion battery[4] to observe the growth of lithium plating as well as dendrites at the anode during rapid charging cycles. Under beginning conditions at the solid/electrolyte interface (SEI), the solid metal phase is deposited at the SEI. Upon growth, the overall electrolyte resistance at the tip of the metal phase is reduced, leading to dendrite growth. The 3D microstructure model provides valuable insight into various conditions that may cause plating, if dendrites are formed due to plating, and whether the dendrites formed may proceed through the separator. References T. R. Garrick, J. Gao, X. Yang and B. J. Koch, J Electrochem Soc, 168, 010530 (2021). U. Janakiraman, T. R. Garrick and M. E. Fortier, J Electrochem Soc, 167, 160552 (2020). T. Jang, L. Mishra, S. A. Roberts, B. Planden, A. Subramaniam, M. Uppaluri, D. Linder, M. P. Gururajan, J.-G. Zhang and V. R. Subramanian, J Electrochem Soc, 169, 080516 (2022). J. Lopata, T. R. Garrick, F. Wang, H. Zhang, Y. Zeng, S. Shimpalee, Journal of The Electrochemical Society, 170, 020530 (2023).