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

doi:10.1088/1674-1056/ad3036

中国物理B ›› 2024, Vol. 33 ›› Issue (5): 58202-058202.doi: 10.1088/1674-1056/ad3036

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

收稿日期:2023-12-31 修回日期:2024-02-15 接受日期:2024-03-05 出版日期:2024-05-20 发布日期:2024-05-20
通讯作者: Lei Xu, Xiqian Yu E-mail:leixu@iphy.ac.cn;xyu@iphy.ac.cn
基金资助:
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).

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

Received:2023-12-31 Revised:2024-02-15 Accepted:2024-03-05 Online:2024-05-20 Published:2024-05-20
Contact: Lei Xu, Xiqian Yu E-mail:leixu@iphy.ac.cn;xyu@iphy.ac.cn
Supported by:
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).

1. 2024-058202-SI.pdf(1757KB)

摘要/Abstract

摘要： 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.

关键词: lithium nickel oxide, high-nickel ternary cathode, Li/Ni mixing, spherical harmonics function, discharge capacity

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.

Key words: lithium nickel oxide, high-nickel ternary cathode, Li/Ni mixing, spherical harmonics function, discharge capacity

中图分类号: (Lithium-ion batteries)

82.47.Aa

82.45.Fk (Electrodes)

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[J]. 中国物理B, 2024, 33(5): 58202-058202.

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[J]. Chin. Phys. B, 2024, 33(5): 58202-058202.

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

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

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