With the advent of the double carbon era, Ni-rich layered oxides with high energy density have become ideal cathode materials to support and secure the energy transition of basic power and transportation. However, with the increase in Ni content, Ni-rich layered oxides suffer from several problems, such as difficult precursor synthesis, structural instability, and high interfacial activity. In this study, a design scheme of uniformly coating LiTi_0.5Zr_1.5(PO₄)₃ (LTZP) conductive buffer layer on the outer surface of LiNi_0.8Mn_0.1Co_0.1O₂ (NCM811) grains was proposed to overcome the above problems. The results of first-principles calculations and various ex-situ characterizations showed that the NASICON-type LTZP material had excellent compatibility with the NCM811 material. The LTZP surface-modified NCM811cathode material presented outstanding electrochemical performance. The initial discharge specific capacity was 210.16 mAh g⁻¹ at 0.2C, and a remarkably high discharge capacity of 147.68 mAh g⁻¹ was recorded at 10C. The capacity retention rate reached 84.7% after 200 cycles of 1C (25 °C). This work presents a strategy for stabilizing the interface with a conductive buffer layer to enhance the electrochemical performance of Ni-rich cathode materials.

随着双碳时代的到来，高能量密度的富镍层状氧化物已成为支撑和保障基础电力和交通能源转型的理想正极材料。然而，随着Ni含量的增加，富Ni层状氧化物存在前驱体合成困难、结构不稳定、界面活性高等问题。本研究提出了一种在LiNi _0.8 Mn _0.1 Co _0.1 O ₂外表面均匀涂覆LiTi _0.5 Zr _1.5 (PO ₄ ) _{3 (LTZP)导电缓冲层的设计方案。}（NCM811）晶粒被提出来克服上述问题。第一性原理计算和各种异位表征结果表明，NASICON型LTZP材料与NCM811材料具有良好的相容性。LTZP表面改性的NCM811正极材料表现出优异的电化学性能。初始放电比容量在0.2C时为210.16 mAh g ^-1，在10C时记录到非常高的放电容量147.68 mAh g ^{-1 。}1C（25℃）循环200次后容量保持率达到84.7%。这项工作提出了一种稳定与导电缓冲层界面的策略，以提高富镍正极材料的电化学性能。