Figure 4
From: Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
Calculated activation barrier for Li migration in O3 Li(Ni0.5Mn0.5)O2 as a function of the Li slab space. Triangles and circles represent the activated state (tetrahedral site) that shared faces with Ni and Mn, respectively. The slab spacing has been determined for a hypothetically perfect layered system, for a system with 8.3% excess Ni present in the Li layer without a change in the transition-metal layer, and for a system with 8.3% Li-Ni exchange. The result shows that Li-Ni disorder leads to smaller slab spacing and higher activation barriers, especially at 16% delithiation. Reproduced with permission from Kang et al.45
