Author:
Rodriguez Mark A.,Ingersoll David,Doughty Daniel H.
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.
Publisher
Cambridge University Press (CUP)
Subject
Condensed Matter Physics,Instrumentation,General Materials Science,Radiation
Reference8 articles.
1. Jenkins R. and Snyder R. L. (1996). Introduction to X-ray Powder Diffractometery (Wiley, New York), pp. 149–150.
2. Cathode materials for lithium rocking chair batteries
3. Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li x CoO2
4. Ibers J. A. and Hamilton W. C. (1974). International Tables for X-ray Crystallography, Vol. IV (Kluwer Academic, Boston), p. 71.
5. Materials issues in lithium ion rechargeable battery technology;Doughty;SAMPE journal,1996
Cited by
3 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献