Mesoporous Mo-doped NiCoO nanocrystals for enhanced electrochemical kinetics in high-performance lithium-ion batteries.

Capacity fading at high rates and a reduced cyclic life due to the deterioration of electrode integrity is one of the major problems in the practical applications of lithium-ion batteries. In this regard, the development of efficient and innovative electrode materials with outstanding transport features and electrochemical properties is urgently needed. In this work, mesoporous Mo-doped NiCoO nanocrystals with enhanced electrochemical kinetics were prepared and investigated as an anode material for lithium-ion batteries. Experimental and density functional theory results demonstrated an increase in the specific surface area, creation of defects and enhanced conductivity. These promising features provide an opportunity to boost the lithium-storage capability of Mo-doped NiCoO nanocrystals. The assembled Mo-doped NiCoO electrode delivered a high initial discharge capacity of 1225 mA h g at 50 mA g and an excellent reversible capacity of ∼512 mA h g at 300 mA g with a coulombic efficiency of about 98%. Moreover, the electrode demonstrated high cyclic stability even after 300 cycles and superior rate performance compared with previously reported electrodes. These results prove that the electrochemically boosted Mo-doped NiCoO structure could be an emerging electrode material for future high-performance batteries.