Figure 11
From: Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
Trajectories (white) of Li atoms (green) in ab initio MD (AIMD) simulations of Li10GeP2S12 at 900 K. The one-dimensional diffusion pathway along the c direction (a) and diffusion in the ab plane (b and c). Although the most facile Li diffusion is observed in the c direction, significant diffusion occurs in the a–b plane as well. Reproduced with permission from Mo et al.41
