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Chin. Phys. B, 2024, Vol. 33(5): 058202    DOI: 10.1088/1674-1056/ad3036
INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY Prev   Next  

Accurate estimation of Li/Ni mixing degree of lithium nickel oxide cathode materials

Penghao Chen(陈鹏浩)1,2,3, Lei Xu(徐磊)1,3,†, Xiqian Yu(禹习谦)1,2,3,‡, and Hong Li(李泓)1,2,3
1 Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China;
3 Beijing Frontier Research Center on Clean Energy, Huairou Division, Institute of Physics, Chinese Academy of Sciences, Beijing 101400, China
Abstract  Li/Ni mixing negatively influences the discharge capacity of lithium nickel oxide and high-nickel ternary cathode materials. However, accurately measuring the Li/Ni mixing degree is difficult due to the preferred orientation of lab-based XRD measurements using Bragg-Brentano geometry. Here, we find that employing spherical harmonics in Rietveld refinement to eliminate the preferred orientation can significantly decrease the measurement error of the Li/Ni mixing ratio. The Li/Ni mixing ratio obtained from Rietveld refinement with spherical harmonics shows a strong correlation with discharge capacity, which means the electrochemical capacity of lithium nickel oxide and high-nickel ternary cathode can be estimated by the Li/Ni mixing degree. Our findings provide a simple and accurate method to estimate the Li/Ni mixing degree, which is valuable to the structural analysis and screening of the synthesis conditions of lithium nickel oxide and high-nickel ternary cathode materials.
Keywords:  lithium nickel oxide      high-nickel ternary cathode      Li/Ni mixing      spherical harmonics function      discharge capacity  
Received:  31 December 2023      Revised:  15 February 2024      Accepted manuscript online:  05 March 2024
PACS:  82.47.Aa (Lithium-ion batteries)  
  82.45.Fk (Electrodes)  
Fund: Project supported by the Natural Science Foundation of Beijing (Grant No. Z200013), the Beijing Municipal Science & Technology (Grant No. Z191100004719001), and the National Natural Science Foundation of China (Grant Nos. 52325207 and 22005333).
Corresponding Authors:  Lei Xu, Xiqian Yu     E-mail:  leixu@iphy.ac.cn;xyu@iphy.ac.cn

Cite this article: 

Penghao Chen(陈鹏浩), Lei Xu(徐磊), Xiqian Yu(禹习谦), and Hong Li(李泓) Accurate estimation of Li/Ni mixing degree of lithium nickel oxide cathode materials 2024 Chin. Phys. B 33 058202

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