Theoretical and Experimental Insights into Dendrite Growth in Lithium‐Metal Electrode

Abstract A stable lithium‐metal electrode can enable the shift from the Li‐ion batteries to the next generation chemistries such as Li−S and Li−O 2 with significant gains in the energy density and sustainability. This transition, however, is hindered by the dendrite formation, high chemical reactivity, and volume changes of the Li electrode. Although recent advancements in computational and experimental research have deepened our understanding of these issues, the primary obstacles to the commercialization of the lithium‐metal batteries (LMBs) still persist. To address these challenges, a synergistic approach that combines computational and experimental strategies shows great promise. In this regard, this paper reviews the current experimental and theoretical understanding of the lithium‐metal electrodes in view of the initiation and growth mechanisms of the lithium dendrites and interface instability. Leveraging the strengths of both approaches can offer a holistic insight into the LMB performance and guide the development of innovative designs for electrolytes and electrodes that can enhance the stability and performance of the LMBs.