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 labbased 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.
作者
陈鹏浩
徐磊
禹习谦
李泓
Penghao Chen;Lei Xu;Xiqian Yu;Hong Li(Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China;Beijing Frontier Research Center on Clean Energy,Huairou Division,Institute of Physics,Chinese Academy of Sciences,Beijing 101400,China)
基金
Project supported by the Natural Science Foundation of Beijing(Grant No.Z200013)
the Beijing Municipal Science&Technology(Grant No.Z191100004719001)
the National Natural Science Foundation of China(Grant Nos.52325207 and 22005333)。
作者简介
Corresponding author:Lei Xu,E-mail:leixu@iphy.ac.cn;Corresponding author:Xiqian Yu,E-mail:xyu@iphy.ac.cn。
