LiNi_0.9Co_0.09Mo_0.01O₂ Cathode with Li₃PO₄ Coating and Ti Doping for Next-Generation Lithium-Ion Batteries

LiNi 0.9 Co 0.09 Mo 0.01 O 2 (NCMo90) has been prepared to significantly enhance the performance of Ni-rich cathodes, due to the virtues of Li + /Ni 2+ superlattice structure and highly oriented and refined grains. However, it is very urgent to develop an effective strategy for further stabilizing the microstructure from the bulk to the surface simultaneously. Herein, we design an NCMo90 cathode with a Li 3 PO 4 coating and Ti doping through a modified liquid strategy for the first time. The DFT calculations reveal competitive doping chemistry between Mo and Ti, leading to the formation of a Ti-doped bulk and Mo-rich grain boundary. Meanwhile, due to the synergistic effects of the Li 3 PO 4 coating and Ti doping, the dual-modified NCMo90 exhibits significantly enhanced electrochemical performance with a discharge capacity of 218.7 mAh g –1 at 0.1C (1C = 220 mA g –1 ) and a capacity retention of 93.7% at 0.5C after 100 cycles. This work provides a creative strategy to comprehensively enhance the electrochemical performances of Ni-rich cathodes.