Reassessing anionic redox in conventional layered oxide cathodes for Li-ion batteries: ionic and covalent mechanisms
Jianhua Yin, Zixin Wu, Kai Fang, Yuanlong Zhu, Kang Zhang, Haitang Zhang, Yilong Chen, Liang Li, Longlong Fan, Kang Dong, Lirong Zheng, Qingsong Wang, Huan Huang, Jing Zhang, Yu Qiao, Shi‐Gang Sun
Abstract
, which leads to the aggregation of vacancies in the transition metal layer, thereby accelerating structural destabilization. This variation in oxygen dimerization behavior among NCMs is closely correlated with differences in elemental composition, spin states, and stacking faults. Our findings comprehensively reveal the redox behaviors of transition metals and oxygen, particularly highlighting oxygen behavior at each delithiation state, helping to optimize the utilization of oxygen redox reactions in commercial NCM compounds for high-capacity and high-energy-density lithium-ion batteries.