Realising higher capacity and stability for disordered rocksalt oxyfluoride cathode materials for Li ion batteries

Disordered rocksalt (DRX) materials are an emerging class of cathode materials for Li ion batteries. Their advantages include better sustainability through wider choices of transition metal (TM) elements in the materials and higher theoretical capacities due to the redox reaction contributions from both the TM and O elements compared with state-of-the-art cathode materials. However, the realisable capacities of the DRX materials need to be improved as their charge transport kinetics and cycling stability are still poor. Here, Li_1.2Mn_0.4Ti_0.4O₂ (LMTO) and Li_1.3Mn_0.4Ti_0.3O_1.7F_0.3 (LMTOF) are synthesised with abundant TMs of Mn and Ti only. Three approaches of partial substitution of O with F, reducing particle size and C coating on the particle surface are used simultaneously to improve realisable capacity, rate capability and stability. We rationalise that the improved electrochemical performance is due to the improved short and long range Li⁺ diffusion kinetics, electrical conductivity and reduced O loss. These strategies can also be applicable to a variety of DRX materials to improve performance.