Thermal-healing of lattice defects for high-energy single-crystalline battery cathodes

Shaofeng Li, Guannan Qian, Xiaomei He, Xiaojing Huang, Sang-Jun Lee, Zhisen Jiang, Yang Yang, Wei-Na Wang, Dechao Meng, Chang Yu, Jun-Sik Lee, Yong S. Chu, Zi-Feng Ma, Piero Pianetta, Jieshan Qiu (), Linsen Li (), Kejie Zhao () and Yijin Liu ()
Additional contact information
Shaofeng Li: SLAC National Accelerator Laboratory
Guannan Qian: SLAC National Accelerator Laboratory
Xiaomei He: Purdue University
Xiaojing Huang: Brookhaven National Laboratory
Sang-Jun Lee: SLAC National Accelerator Laboratory
Zhisen Jiang: SLAC National Accelerator Laboratory
Yang Yang: Brookhaven National Laboratory
Wei-Na Wang: Shanghai Jiao Tong University
Dechao Meng: Shanghai Jiao Tong University
Chang Yu: Dalian University of Technology
Jun-Sik Lee: SLAC National Accelerator Laboratory
Yong S. Chu: Brookhaven National Laboratory
Zi-Feng Ma: Shanghai Jiao Tong University
Piero Pianetta: SLAC National Accelerator Laboratory
Jieshan Qiu: Dalian University of Technology
Linsen Li: Shanghai Jiao Tong University
Kejie Zhao: Purdue University
Yijin Liu: SLAC National Accelerator Laboratory

Nature Communications, 2022, vol. 13, issue 1, 1-10

Abstract: Abstract Single-crystalline nickel-rich cathodes are a rising candidate with great potential for high-energy lithium-ion batteries due to their superior structural and chemical robustness in comparison with polycrystalline counterparts. Within the single-crystalline cathode materials, the lattice strain and defects have significant impacts on the intercalation chemistry and, therefore, play a key role in determining the macroscopic electrochemical performance. Guided by our predictive theoretical model, we have systematically evaluated the effectiveness of regaining lost capacity by modulating the lattice deformation via an energy-efficient thermal treatment at different chemical states. We demonstrate that the lattice structure recoverability is highly dependent on both the cathode composition and the state of charge, providing clues to relieving the fatigued cathode crystal for sustainable lithium-ion batteries.

Date: 2022
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DOI: 10.1038/s41467-022-28325-5

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