Effects of Key Factors on Lithium Dendrite Dissolution and Dead Lithium Formation: A Phase-Field Simulation Study

The growth of lithium dendrites and the associated “dead lithium” issue significantly impair the performance and cycle life of lithium metal batteries. This study utilizes a phase-field model under constant-current discharge conditions to simulate the dissolution process of lithium dendrites. The results demonstrate that the non-uniform dissolution of lithium dendrites is a primary cause of their stripping and subsequent dead lithium formation. Specifically, a high charging voltage and a high reaction rate constant aggravate dendrite growth and dead lithium accumulation. Although a high discharging voltage accelerates dendrite dissolution, it readily induces stripping at the dendrite roots, generating more dead lithium. In contrast, increasing the temperature, enhancing the interface mobility, adjusting the anisotropy strength to a moderate level, and constructing semi-circular initial nuclei can effectively mitigate dead lithium by promoting a more uniform dissolution process. This research provides a theoretical foundation for optimizing battery operational parameters and electrode designs to improve capacity and safety.