MS25-P05 Application of laboratory X-ray diffraction equipment for Pair Distribution Function (PDF) analysis Milen Gateshki (Malvern Panalytical B.V., Almelo, Netherlands (Holland, Europe)) Marco Sommariva (Malvern Panalytical B.V., Almelo, Netherlands (Holland, Europe)) Detlef Beckers (Malvern Panalytical B.V., Almelo, Netherlands (Holland, Europe)) Stjepan Prugovecki (Malvern Panalytical B.V., Almelo, Netherlands (Holland, Europe)) Martijn Fransen (Malvern Panalytical B.V., Almelo, Netherlands (Holland, Europe))email: milen.gateshki@panalytical.comThe increased interest in recent years regarding the properties and applications of nanomaterials has also created the need to characterize the structures of these materials. One of the most promising techniques to study nanostructures using X-ray diffraction is by using the total scattering (Bragg peaks and diffuse scattering) from the samples and the pair distribution function (PDF) analysis. The pair distribution function provides the probability of finding atoms separated by a certain distance. From experimental point of view a typical PDF analysis requires the use of intense high-energy X-ray radiation (E ≥ 15 KeV) and a wide 2θ range. At present, synchrotron and neutron sources are the preferred choice for PDF analysis, but there is clearly an increasing need for a PDF solution based on laboratory diffraction equipment. Such a solution, though limited, will benefit areas where quick feedback about the materials properties is important and will allow the routine application of PDF analysis for materials characterization in university laboratories as well as industrial R&D departments.
After the initial feasibility studies regarding the use of standard laboratory diffraction equipment for PDF analysis [1,2] this application has been further developed to achieve improved data quality and to extend the range of materials, environmental conditions and geometrical configurations that can be used for PDF experiments. The recent introduction of detectors with improved efficiency for high-energy X-rays [3] has further enhanced the capabilities of laboratory diffractometers for total scattering experiments. This contribution presents several examples of laboratory PDF studies performed on different nanocrystalline and amorphous materials of scientific and technological interest (organic substances, oxides, metallic alloys, materials for battery applications, etc.) and demonstrates that PDF analysis with a laboratory diffractometer can be a valuable tool for structural characterization of nanomaterials.

[1] te Nijenhuis, J. et al. (2009) Z. Kristallogr. Suppl., 30, 163-169.

[2] Reiss, C. A. et al. (2012) Z. Kristallogr, 227, 257-261.

[3] Confalonieri G. et al. (2015) Powder Diffraction, 30, S65-S69.

Keywords: Pair Distribution Function, Total scattering, Nanomaterials