Improving the high-voltage behavior of LiNiO2 through electrochemical property regulation by Mg doping

In this study, high-temperature solid-phase techniques are used to prepare pristine and Mg-modified LiNiO 2 cathode materials. Various characterizations are performed to analyze the morphology, structure, and electrical state of the two materials. Electrochemical tests show that Mg doping effectively improves the electrochemical properties of the materials. In particular, the modified sample exhibits a higher specific discharge capacity of 244.5 mA h g −1 than the pristine sample. Moreover, its maximum capacity retention after 304 cycles at 1 C is 54.1%. In situ X-ray powder diffraction imaging reveals that the modified material has better phase-transition reversibility than the pristine material. Density functional theory calculations indicate that Mg-doped Li sites can accelerate Li + transport. Atomic force microscopy results demonstrate that Mg-doped Li sites act as supportive skeletons that enhance the mechanical properties of the material. Therefore, the proposed strategy for the Mg doping of Li sites can improve the architecture of LiNiO 2 cathode materials.