@article{Chen2026, 
author = {Siqi Chen and Xin Zhou and Shuo Wang and Ping Zhang and Wenbin Wu and Xiaohong Liu and Guilin Feng and Bin Zhang and Wangyan Xing and Meihua Zuo and Ping Zhang and Wei Xiang},
title = {High-performance single crystal Ni-rich cathode with regulated lattice and interface constructed by separated lithiation and crystallization calcination},
year = {2026},
journal = {Green Chemical Engineering},
volume = {7},
number = {1},
pages = {51-60},
keywords = {Lithium-ion batteries, Single-crystal Ni-rich cathode, Lattice stabilization, Hetero-epitaxially grown interface, High valence dopant},
url = {https://www.sciopen.com/article/10.1016/j.gce.2024.09.004},
doi = {10.1016/j.gce.2024.09.004},
abstract = {Incorporating high valence dopants, such as W6+ and Mo6+ has been verified to be effective for tuning the microstructure and grain boundary of polycrystal Ni-rich cathode. However, the hindered consolidation of primary particles induced by dopants during lithiation calcination limits the utilization of those dopants to crystalize single-crystal Ni-rich cathodes with stabilized lattice and surface. Herein, high performance single crystal LiNi0.84Co0.11Mn0.05O2 cathode with Al3+ and W6+ regulated lattice and boundary phase was construed based on commercial process with two-step calcination process containing separated lithiation and crystallization. The introduction of appropriate amount of Al3+ in the first lithiation calcination of 6 h endows the bulk of crystalline with enhanced lattice stability, while the incorporation of W6+ with stoichiometrical LiOH in the secondary crystallization calcination of 6 h renders uniformly distributed surface layer without hampering the growth of single-crystal. With the Al3+ doped bulk lattice, W6+ doped subsurface region and hetero-epitaxially grown Li2WO4, the cathode infused by two-step calcination exhibits high discharge capacity, rate performance, and cycling stability. Specifically, the modified LiNi0.84Co0.11Mn0.05O2 exhibits exceptional capacity retention, maintaining 88.98% of its initial capacity after 200 cycles at a rate of 1 C within a voltage window of 2.7–4.3 V at a temperature of 25 ℃ in half-cell. This performance is markedly superior to the capacity retention of 72.96% observed for pristine cathode. Even when subjected to a stringent test after 200 cycles at the same rate, the modified cathode sustains an impressive capacity retention of 82.41% at an elevated cut-off voltage of 4.5 V and a temperature of 30 ℃.}
}