D8 DISCOVER Plus, X-ray diffraction

PDF Analysis on Titanium Dioxide Nanoparticles

D8 DISCOVER Plus PDF Analysis Application Report

TiO2 is a widely used metal oxide due to its low cost, low toxicity and chemical inertness. The properties of TiO2 are highly dependent upon, among others, the crystal structure and the particle size, especially for very small sizes < 10 nm. The conventional particle size analysis using Rietveld structure analysis is limited to long range order, which obviously is not the case for nanoparticles.

The pair distribution function (PDF) describes the probability of finding two atoms separated by a distance r. The experimental PDF is determined directly from powder diffraction data making use of both Bragg and diffuse scattering intensities. The resulting reduced total scattering function F(Q) finally is Fourier transformed. PDF data is displayed in real space and, in contrast to Rietveld analysis, allows for comparative structural investigations at small and intermediate distance scales.

In this report, the benefits of using the D8 DISCOVER Plus, equipped with the ATLAS™ goniometer and the high-efficiency turbo X-ray source (TXS-HE), for the analysis of the pair distribution function (PDF) are presented.

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