Exploring the impact of metal oxide coating and metal atom doping on the electrochemical performance of Ni-rich cathode materials

Abstract

In this research, we systematically examine the impact of atomic cation dopants and metal oxide coatings, including their respective oxidation states, on the electrochemical performance of Ni-rich NCA90 cathode materials. The study reveals that dopants exhibiting varied oxidation states, derived from high annealing temperatures, can efficaciously mitigate H2–H3 phase transitions, thereby amplifying the structural stability of the materials. Complementary Density Functional Theory (DFT) calculations corroborate that a judiciously selected dopant can enhance the electronic attributes of the cathode materials. Notably, the incorporation of a tungsten dopant is found to markedly modulate the kinetics of lithium transfer throughout the battery cycling process. This research provides vital insights into the role of cation dopants and metal oxide coatings in optimizing the electrochemical performance of Ni-rich cathode materials.