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Li-metal batteries, often heralded as the next frontier in energy storage technology, boast remarkable characteristics such as high energy density. Unlike traditional lithium-ion batteries, Li-metal batteries incorporate a lithium-metal anode, which significantly enhances their energy density. This higher energy density translates to a substantial increase in the amount of energy that can be stored in a given volume or weight, paving the way for more powerful and longer-lasting energy solutions1–3. However, significant shortcomings do exist, such as uneven Li-Metal deposition, dendrite formation, dead lithium, etc.4 These phenomena are different than what are usually observed in Li-ion batteries with intercalation chemistry and lead to issues such as poor cycle life, low coulumbic efficiency, and safety concerns.3 Mathematical modeling is a promising approach to studying the physicochemical processes involved in the Li-metal batteries to understand the morphology changes during cycling. The plating and stripping of the lithium metal on the anode during cycling can be modeled as a moving boundary problem.5 Since the process involves a shrinking and expanding electrolyte domain, moving boundary problems call for the fastidious implementation of the model equations and boundary conditions.6 In this talk, we will show the general mathematical framework involved in modeling Li-metal batteries in 1D systems. It expands upon the importance of carefully implementing boundary conditions to tackle the mass conservation issue that arises while cycling the model. It will also touch upon the additional complexities associated with expanding the model to 2D systems with convection in the electrolyte phase. References: Wang J, Ge B, Li H, et al (2021) Challenges and progresses of lithium-metal batteries. Chem Eng J 420:129739. https://doi.org/10.1016/j.cej.2021.129739 Wang R, Cui W, Chu F, Wu F (2020) Lithium metal anodes: Present and future. J Energy Chem 48:145–159. https://doi.org/10.1016/j.jechem.2019.12.024 Liu J, Bao Z, Cui Y, et al (2019) Pathways for practical high-energy long-cycling lithium metal batteries. Nat Energy 4:180–186. https://doi.org/10.1038/s41560-019-0338-x Bandhauer TM, Garimella S, Fuller TF (2011) A Critical Review of Thermal Issues in Lithium-Ion Batteries. J Electrochem Soc 158:R1. https://doi.org/10.1149/1.3515880 Mishra L, Subramaniam A, Jang T, et al (2021) Perspective—Mass Conservation in Models for Electrodeposition/Stripping in Lithium Metal Batteries. J Electrochem Soc 168:092502. https://doi.org/10.1149/1945-7111/ac2091 Jang T, Mishra L, Subramaniam A, et al (2023) Addressing Mass Conservation in Two-dimensional Modeling of Lithium Metal Batteries with Electrochemically Plated/Stripped Interfaces. J Electrochem Soc 170:110516. https://doi.org/10.1149/1945-7111/ad0510
Telmasre et al. (Fri,) studied this question.