A dual-modification strategy via atomic layer deposition for synergistically stabilizing Ni-rich cathodes toward high-performance lithium-ion batteries

Structural degradation and surface side reactions of nickel-rich NCM cathodes hinder their practical application in lithium-ion batteries. To address these issues, atomic layer deposition (ALD) was used to construct a dual-modified interface layer with both doping and coating functions on nickel-rich NCM cathode materials. This dual modification integrates coating and doping advantages, reducing cation mixing, suppressing harmful phase transitions, inhibiting side reactions, and improving NCM conductivity. At a 4.5 V cutoff voltage, the dual-modified NCM delivers 213.3 mAh g −1 at 0.2C and retains 88.3% capacity after 100 cycles. Density functional theory (DFT) calculations show that heterogeneous atoms enhance the surface coating layer's binding energy, providing a more stable and superior interface structure. The dual modification strategy enables efficient interface engineering to modulate electrochemical reaction kinetics and structural stability of high-energy-density NCM cathodes, offering new insights for high-performance lithium-ion battery development.