Reconstruction of R 3¯ m Disordered Phase Homogenizing Li <sup>+</sup> Distribution Toward Mitigating H2‐H3 Phase Transition in LiNi <sub>0.95</sub> Co <sub>0.02</sub> Mn <sub>0.03</sub> O <sub>2</sub>

J Jiaxuan Zuo (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) L Lingkun Yang (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) X Xuan Yang J Jingjing Wang J Jing Wang (Hunan Cancer Hospital Changsha China) X Xuexia Song Q Qinting Jiang (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) Y Yuanhao Meng (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) M Ming Li Y Yikun Bai (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) G Guiqiang Cao (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) H Haofei Yang (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) D Dongzhu Liu (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) R Runjie Bi (Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China) B Bo Sun Y Yuhui Xu W Wenbin Li (College of Life Science, Liaoning Normal University, Dalian, China.) J Jiujun Zhang (Institute of New Energy Materials and Engineering, College of Materials Science and Engineering, State Key Laboratory of Green and Efficient Development of Phosphorus Resources, Fujian Engineering Research Center of High Energy Batteries and New Energy Equipment & Systems) X Xifei Li

Abstract

ABSTRACT Electro‐chemo‐mechanical coupling failure severely deteriorates the cycling performance of LiNi 0.95 Co 0.02 Mn 0.03 O 2 (NCM95), which results from the inhomogeneous lithium‐ion distribution at high charge states, coupled with lattice mismatch in drastic phase transformation. To mitigate this challenge, in this work, an in‐situ R m‑type disordered phase was induced by interfacial lithium and oxygen vacancies, exhibiting excellent dynamic lattice matching with the underlying layered framework of NCM95. Crucially, differing from the previously reported inert NiO rock salt, the optimal disordered phase possesses redox activity and undergoes thermodynamically driven delithiation reconstruction process. The reconstructed disordered phase homogenizes the lithium‐ion distribution and mitigates deep delithiation along with drastic H2‐H3 phase transition to promote structural integrity of NCM95. Concurrently, the electrode/electrolyte interface is stabilized by lowering the nickel oxidation state and inhibiting gradual defect formation within the layered lattice. As a result of the structural stability effect, the modified NCM95 exhibits a capacity retention of 99% after 100 cycles at 50 mA g −1 , 80% after 400 cycles at 250 mA g −1 , and 83% after 900 cycles in all‐solid‐state battery system. This work clarifies the “double‐edged” nature of cation disorder and provides a structurally stable, lattice‐matched interface design scheme for ultrahigh nickel content layered cathodes.

Article Details

Volume / Issue Vol. 38, Issue 19
Published April 01, 2026
ISSN 0935-9648
Publisher Unknown Publisher

Journal Info

Advanced Materials

Unknown Publisher

ISSN: 0935-9648 Physical Sciences

Authors (19)

J

Jiaxuan Zuo

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

L

Lingkun Yang

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

X

Xuan Yang

J

Jingjing Wang

J

Jing Wang

Hunan Cancer Hospital Changsha China

X

Xuexia Song

Q

Qinting Jiang

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

Y

Yuanhao Meng

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

M

Ming Li

Y

Yikun Bai

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

G

Guiqiang Cao

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

H

Haofei Yang

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

D

Dongzhu Liu

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

R

Runjie Bi

Shaanxi Engineering Research Center of Key Materials for Lithium/Sodium‐ion Batteries Institute of Advanced Electrochemical Energy &amp; School of Materials Science and Engineering Xi'an University of Technology Xi'an Shaanxi China

B

Bo Sun

Y

Yuhui Xu

W

Wenbin Li

College of Life Science, Liaoning Normal University, Dalian, China.

J

Jiujun Zhang

Institute of New Energy Materials and Engineering, College of Materials Science and Engineering, State Key Laboratory of Green and Efficient Development of Phosphorus Resources, Fujian Engineering Research Center of High Energy Batteries and New Energy Equipment & Systems

X

Xifei Li