高级检索
无机材料学报

无机材料学报 >

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

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

研究论文

LiMeO2材料中锂和镍原子混排的模拟和实验研究

  • 张熙贵 ,
  • 张 建 ,
  • 杨传铮 ,
  • 李 佳
展开
  • （中国科学院 上海微系统与信息技术研究所, 上海 200050）

收稿日期: 2009-02-11

  修回日期: 2009-07-01

  网络出版日期: 2010-01-24

收起

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

  • ZHANG Xi-Gui ,
  • ZHANG Jian ,
  • YANG Chuan-Zheng ,
  • LI Jia
Expand
  • （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

Fold

摘要

在分析R3m(No.166)中3a位和3b位原子对各（hkl）晶面结构因子的贡献时发现, 它们有相加和相减关系. 成相加关系的衍射线强度与混合占位参数X无关, 而为相减关系的衍射线强度随混合占位参数X明显变化. 因此, 提出用相加和相减两线条的衍射积分强度比的新方法来研究这类材料中Li、Ni的晶体学占位问题. 获得 (I003/I104)1/2、(I101/I012)1/2、(I101/I104)1/2与混合占位参数X均为线性关系. 反之, 由实验测得实际样品的衍射积分强度比(I003/I104)1/2、(I101/I012)1/2、(I101/I104)1/2, 用线性关系计算求得对应的混合占位参数X.

关键词： 锂离子电池; Li(NiuCovMn1-u-v)O2; 原子混合占位; X射线衍射

本文引用格式

张熙贵 , 张 建 , 杨传铮 , 李 佳 . LiMeO2材料中锂和镍原子混排的模拟和实验研究[J]. 无机材料学报, 2010 , 25(1) : 8 -12 . DOI: 10.3724/SP.J.1077.2010.00008

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

参考文献

［1］Luo Z, Di N L, Kou Z Q, et al. Chin. Phys., 2004, 13(12): 2158-2161.
［2］郝万军, 李 畅, 魏英进, 等（HAO Wan-Jun, et al）. 物理学报(Acta Physica Sinica), 2003, 52(4)：1023-1027.
［3］Sun Y C, Ouyang C Y, Wang Z X, et al. J. Electrochem. Soc., 2004, 151(4): A504-A508.
［4］Li D C, Takahisa M, Zhang L Q, et al. J. Power Sources, 2004, 132(1/2): 150-155.
［5］Yabuuchi N, Ohzuku T. J. Power Sources, 2003, 119-121: 171-174.
［6］Rougier A, Saadoune I, Gravereau P, et al. Solid State Ionics, 1996, 90(1-4): 83-90.
［7］Delmas C J, Pérès J P, Rougier A, et al. J. Power Sources, 1997, 68(1): 120-125.
［8］侯柱锋, 刘慧英, 朱梓忠, 等(HOU Zhu-Feng, et al).物理学报(Acta Physica Sinica), 2003, 52(4)：952-957.
［9］Kim JungMin, Chung HoonTack. Electrochemica Acta, 2004, 49(6): 937-944.
［10］刘汉三, 李 劫, 龚正良, 等. 电源技术, 2004, 28(10)：612-617.
［11］Dahn J R, Sacken U von, Michal C A. Solid State Ionics, 1990, 44(1/2): 87-97.
［12］Ohzuku T, Ueda A, Nagoyama M. J. Electrochem. Soc., 1993, 140(7): 1862-1870.
Options
文章导航

/

〈 〉