Theoretical c -lattice evolution trend of computationally modeled LL 0.25 electrode. The c -lattice parameters for simple oxygen-oxidated structures (orange) and structures with additional TM-migration (green) at the various SOCs in comparisons with the reference layered structures (gray). The amount of lattice change resulted from each oxygen repulsion reduction and TM migration (Δ c O and Δ c TM , respectively) was presented with orange and green shade, respectively, while the final calculated structures were shown in the right.
