Modeling and analysis of X-ray diffraction profiles using solid nanocrystals

X-ray diffraction line broadening, combined to the pattern decomposition technique, is discussed through the Voigt and Fourier methods. The procedure is applied with the software ProfFOU to two nanocrystalline solids, cerium oxide and nickel hydroxide. An optimal interpretation of their microstructural properties is described and the results obtained from the two approaches are discussed. The study of fifteen reflections of the pattern of CeO2 shows that the solid is strain-free and that the crystallites are spherical, on average. For Ni(OH)(2), crystallites are disc-shaped and they contain a significant amount of microdistortions.