@article{Luo2026, 
author = {Han Luo and Kai Qiu and Yang Li and Cong Xu and Xiaowen Chen and Xinyu Rui and Zetian Chen and Gaolong Zhu and Xiang Liu and Yi Guo and Hongkun Pan and Yike Gao and Chengdong Liang and Bin Luo and Junwei Yang and Defen Zhang and Tiening Tan},
title = {Enhancement of grain boundary interactions to promote mechanical stability of LNO under deep delithiation conditions},
year = {2026},
journal = {Nano Research},
volume = {19},
number = {1},
pages = {94907901},
keywords = {cobalt-free cathode, LiNiO2 (LNO), grain boundaries, mechanical stress, deep delithiation},
url = {https://www.sciopen.com/article/10.26599/NR.2025.94907901},
doi = {10.26599/NR.2025.94907901},
abstract = {Cobalt-free LiNiO2 (LNO) is considered a promising cathode for its high energy density and cost-effectiveness. However, its structural instability under deep delithiation severely limits practical application in next-generation batteries. Herein, we propose a high-valence Mo6+ doping strategy to simultaneously improve mechanical robustness and electrochemical stability. By stabilizing intergranular interfaces, this method effectively suppresses mechanical degradation induced by lattice strain under deep delithiation. The modified cathode exhibits exceptional electrochemical performance, achieving a specific capacity of 234 mAh·g−1 at 0.1 C with 83.4% retention over 100 cycles at 45 °C in lithium-ion batteries (LIBs). Notably, it maintains comparable efficacy in all-solid-state batteries (ASSBs), delivering 239 mAh·g−1 at 0.05 C and 82.8% retention after 300 cycles. Density functional theory (DFT) calculations demonstrate a pronounced rise in oxygen vacancy formation energy, increasing from 1.42 to 3.27 eV. These findings offer valuable insights into overcoming the kinetic performance limitations of cobalt-free LNO under deep delithiation conditions.}
}