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Quantitative analysis of Li contents in LixCoO2 cathodes via Rietveld refinement

Published online by Cambridge University Press:  06 March 2012

Mark A. Rodriguez,
David Ingersoll and
Daniel H. Doughty
Mark A. Rodriguez*
Affiliation:
Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, New Mexico 87185-1411
David Ingersoll
Affiliation:
Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, New Mexico 87185-1411
Daniel H. Doughty
Affiliation:
Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, New Mexico 87185-1411
*
a)Electronic mail: marodri@sandia.gov
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Abstract

Rietveld refinement of LixCoO2-type cathodes (where x=0.59–1.00) has been demonstrated to yield quantitative information about the Li occupancy with an error of about ∼10%. With careful X-ray diffraction (XRD) data collection, refinement, and proper calibration, accurate values can be obtained. Rietveld refinement tends to under-predict the Li occupancy values in charged (de-lithiated) cathodes as compared to ICP measurements. A Li-gradient model that assumes a decreasing concentration of Li from the particle core to its surface is discussed to explain this observation. The observed lattice parameters for the fully lithiated LiCoO2 standard phase (R-3m symmetry) were a=2.8155(1) Å, c=14.052(1) Å. The error convention used in this paper is 3σ of standard deviations obtained from Rietveld refinement output.

Keywords

RietveldLixCoO2lithiumcobaltoxideLi-ion battery

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Type
Technical Articles
Information
Powder Diffraction , Volume 18 , Issue 2 , June 2003, pp. 135 - 139
Copyright
Copyright © Cambridge University Press 2005

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References

Doughty, D. H. (1996). “Materials issues in lithium ion rechargeable battery technology,” SAMPE journal ZZZZZZ 32, 75–79.Google Scholar
Ibers, J. A. and Hamilton, W. C. (1974). International Tables for X-ray Crystallography, Vol. IV (Kluwer Academic, Boston), p. 71.Google Scholar
Jacoby, M. (1998). “Taking charge of the 21st century,” Chem. Eng. News CENEAR 76 (31), 37–43. cen, CENEAR CrossRefGoogle Scholar
Jenkins, R. and Snyder, R. L. (1996). Introduction to X-ray Powder Diffractometery (Wiley, New York), pp. 149–150.Google Scholar
Koksbang, R. et al. (1996). “Cathode materials for lithium rocking chair batteries,” Solid State Ionics SSIOD3 84, 1–21. ssi, SSIOD3 CrossRefGoogle Scholar
Lee, K. K.and Kim, K. B. (2000). “Electrochemical and structural characterization of LiNi1−yCoyO2 (0<y<0.2) positive electrodes during initial cycling,” J. Electrochem. Soc. JESOAN 147, 1709–1717. jes, JESOAN CrossRefGoogle Scholar
March, A. (1932). “Mathematische theorie der regelung nach der Korngestalt bei affiner deformation,” Z. Kristallogr. ZEKRDZ 81, 285–297. zek, ZEKRDZ CrossRefGoogle Scholar
Reimers, J. N.and Dahn, J. R. (1992). “Electrochemical and insitu X-ray diffraction studies of lithium intercalation in LixCoO2,” J. Electrochem. Soc. JESOAN 139, 2091–2097. jes, JESOAN CrossRefGoogle Scholar