Lithium Layers Govern Wave-like Cross-Plane Transport and Thermal Anisotropy in LiCoO2
LiCoO2, a layered crystalline material characterized by pronounced bonding heterogeneity between stiff covalent CoO2 layers and soft ionic Li layers, remains a dominant cathode material for lithium-ion batteries. Using a theoretical framework that combines ab initio anharmonic lattice dynamics with equilibrium molecu...