▎ 摘　　要

First-principles informed thermodynamic modeling is employed to investigate lithium intercalation in low-angle twisted bilayer structures. A theoretical limit for onset of lithium plating rather than intercalation is identified, and its correlation with twist angle is explored. Further inspection shows that small overpotentials are sufficient to mitigate this detrimental plating regime, and effectively double the maximum amount of lithium. In order to better understand possible energy storage applications of twisted structures, the voltage dependence on state of charge has been studied. We find a relatively stable voltage profile, flatter than typical graphite-based anodes currently used in commercial lithium-ion batteries. Twist-angle and total lithium concentration are demonstrated to be capable of significantly tuning the spacial distribution of lithium on regions with different stacking regimes.