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Journal of Inorganic Materials

Journal of Inorganic Materials >

2010 , Vol. 25 >Issue 1: 8 - 12

DOI: https://doi.org/10.3724/SP.J.1077.2010.00008

Research Paper

Simulation and Experimental Study on Mixed Arrange of Li/Ni Atoms in LiMeO2 Materials

  • ZHANG Xi-Gui ,
  • ZHANG Jian ,
  • YANG Chuan-Zheng ,
  • LI Jia
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  • （Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China）

Received date: 2009-02-11

  Revised date: 2009-07-01

  Online published: 2010-01-24

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Abstract

When analyzing the contributions of these atoms occupying 3a and 3b sites in R3m to X-ray diffraction intensity of planes (hkl) in LiMeO2, a “plus or minus” relationships are found. For the lines of plus relationship of the atoms to X-ray diffraction intensity has no relationship with the mixed occupying parameter X, but the minus ones do. Therefore, a novel method is proposed to study the atomic occupying problem of Li and Ni. The linear relationships between intensity ratio of (I003/I104)1/2,(I101/I012)1/2,(I101/I104)1/2 and the mixing occupation parameter X are found. Meanwhile, using the data of the ratio of integrated diffraction intensity derived by the XRD experiment, the corresponding parameter X can be obtained from the linear equations directly.

Key words： Li-ion battery; Li(NiuCovMn1-u-v)O2; atomic mixing occupation; X-ray diffraction

Cite this article

ZHANG Xi-Gui , ZHANG Jian , YANG Chuan-Zheng , LI Jia . Simulation and Experimental Study on Mixed Arrange of Li/Ni Atoms in LiMeO2 Materials[J]. Journal of Inorganic Materials, 2010 , 25(1) : 8 -12 . DOI: 10.3724/SP.J.1077.2010.00008

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