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Influence of the X-ray diffraction line profile analysis method on the structural and microstructural parameters determination of sol-gel TiO2 powders

Published online by Cambridge University Press:  29 February 2012

Serge Vives*
FEMTO-ST, ENISYS, Université de Franche-Comté, UMR 6174-CNRS, 4 place Tharradin, BP 71427, 25211 Montbéliard Cedex, France
Cathy Meunier
FEMTO-ST, ENISYS, Université de Franche-Comté, UMR 6174-CNRS, 4 place Tharradin, BP 71427, 25211 Montbéliard Cedex, France
a)Author to whom correspondence should be addressed. Electronic mail:


Four sol-gel TiO2 powders have been prepared from titanium tetraisopropoxide. The calcined powders are then characterized by X-ray diffraction. Cell parameters are extracted using two Rietveld refinement programs (FULLPROF and MAUD) leading to close values and indicating a contraction of the a (or b) cell parameter and an expansion of the c cell parameter of the anatase phase with temperature. Crystallite size and microstrain are highly dependent not only on the sol synthesis but also on the diffraction line profile analysis (LPA) models (i.e., Williamson-Hall, Thomson-Cox-Hastings, Dehlez et al., and log-normal size distribution) employed. Discrepancies are then observed for the phase transformation critical size, the activation energy of grain growth, and the microstrain stored potential energy according to the LPA approach used to calculate the microstructural parameters.

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Copyright © Cambridge University Press 2009

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Influence of the X-ray diffraction line profile analysis method on the structural and microstructural parameters determination of sol-gel TiO2 powders
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