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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
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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