Lattice reconstruction engineering for Ni-rich cathode material with stable cycling via calcium

The commercialization of Ni-rich layered oxide cathode materials has been severely hampered by rapid capacity degradation and safety issues. Here, we demonstrate a lattice reconstruction strategy to improve the structural and thermal stability of LiNi 0.83 Co 0.11 Mn 0.06 O 2 (NCM83) via calcium. The enhanced stability of NCM83 is ascribed to the formation of Ca-O bond, which is stronger than TM-O (TM=Ni, Mn, Co) bond. The lattice reconstruction enables metal-O (M-O) bond more stable which mitigates the loss of lattice oxygen, thus improving the reversibility of the H2-H3 phase transition in NCM83. Moreover, Ca 2+ acts as a pillar, facilitating the transport of Li + . The lattice-reconstructed Ni-rich cathode material with 0.5 % Ca can maintain a capacity retention ratio of 97.3 % at 1 C after 150 cycles. As compared with the pristine NCM83 cathode, the high-voltage cycling stability at 4.5 V and high-temperature performance at 55 °C are increased by 17.9 % and 12.2 %, respectively. This work actually proposes a new approach to design and construct high-performance Ni-rich cathode materials for practical lithium-ion batteries.