1.Yuzhang Normal University, Nanchang, 330103, People’s Republic of China ;2.Jiangxi University of Technology, Nanchang, 330098, People’s Republic of China ;3.Jiangxi University of Chinese Medicine, Nanchang, 330004, People’s Republic of China ;
Abstract:
In this work, the electrochemical performance of Na-doped layered cathode material LiCoO2 for Li-ion batteries is studied using first-principles calculations. The results show that the doped Na ion acts as a pillar, which can greatly increase the diffusion rate of Li ions, but it is not conducive to improving cycle performance and delithiation potential. These research results provide a theoretical reference for the study of Li-ion batteries with high-rate performance. Due to the conflicting role of single element doping, the multi-element co-doping strategy will be the best way to develop high-performance Li-ion batteries.