Exploring the Phase Stability of LiMn TM O (TM = Ni, Co, Cr, Ru) Cathode Materials in Lithium-Ion Batteries via the Cluster Expansion Method.

LiMnO has garnered significant interest as a potential cathode material due to its high electrochemical capacity, cost-effectiveness, and eco-friendliness. Nonetheless, its practical utilization is hindered by structural deterioration, which results in rapid capacity and voltage decay during cycling. To mitigate these challenges, cationic dopants have been incorporated to minimize structural collapse and enhance cathode material performance.