Hybrid-angle energy-dispersive X-ray diffraction and fluorescence system for the analysis of material in a vial

Hybrid-angle energy-dispersive high-power X-ray diffraction (XRD) with white X-ray beam and a cadmium telluride (CdTe) detector is demonstrated in this work on a CeO₂ powder sample in a glass vial. In order to select an appropriate X-ray radiation source that can penetrate the vial and generate diffraction signals of sufficient intensity, an energy spectrum simulation of metals with atomic numbers ranging from 24 to 92 was performed using the Geant4 simulator. On the basis of the aforementioned simulation, a hybrid-angle energy-dispersive X-ray diffraction and fluorescence apparatus was constructed, employing a tungsten target X-ray source and a cadmium telluride detector. Diffraction signals of CeO₂ powder were obtained in a glass vial with a 0.5 mm wall thickness. Additional research indicates that the XRD patterns also exhibited fluorescence peaks. The fluorescence analysis supplements the diffraction analysis, offering supplementary insights and providing an additional layer of understanding of the elemental composition and distribution within the sample. The full width at half maximum (FWHM) of the peaks in q-space is found to be dependent on the energy resolution of the detector and the angle resolution of the goniometer. It is possible for multi-angle scanning energy-dispersive X-ray diffraction to achieve the same or even smaller FWHM as 2D-XRD if the experimental parameters are properly chosen.