Figure 13
From: Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
(a) Schematic illustration and Li migration barrier in dilute stage II and stage IV diffusion in graphite. (b) Schematic illustration and Li migration barrier under high-concentration conditions in stages I and II. Calculated barriers are highly sensitive to changes in the c lattice parameter. (c) The calculated self-diffusivity for stage I (red) and stage II (blue) in kinetic Monte Carlo (KMC) simulations. Reproduced with permission from Persson et al.135
