![]() ![]() ![]() ![]() ![]() These lenses are routinely used in microbeam x-ray fluorescence analysis. Polycapillary focusing lenses were used to collect divergent x rays emitted from conventional x-ray tubes and redirect them to form an intense focused beam. This thesis includes x-ray experiments for medical and materials applications and the use of x-ray diffraction data in a first-principles study of electronic structures and hyperfine properties of chemical and biological systems. X-ray diffraction-based electronic structure calculations and experimental x-ray analysis for medical and materials applications This demonstrates the good potential of computational methods in spectroscopic assignments of solid-state 45 Sc NMR spectroscopy. A good agreement between the calculated shielding constants and experimental chemical shifts was obtained. First-principles calculations of the 19 F and 45 Sc NMR parameters were carried out using plane-wave basis sets and periodic boundary conditions (CASTEP), and the results were compared with the experimental data. The 19 F chemical shift ranges for bridging and terminal fluorine atoms were also determined. The 45 Sc chemical shift ranges for six- and seven-coordinated scandium environments were defined. Moreover, the local structures of NaScF 4, Li 3 ScF 6, KSc 2 F 7, and Na 3 ScF 6 compounds were studied in detail from solid-state 19 F and 45 Sc NMR experiments. The structure of K 5 Sc 3 F 14 was fully determined from Rietveld refinement performed on powder X-ray diffraction data. The structures of several fluoroscandate compounds are presented here using a characterization approach combining powder X-ray diffraction and solid-state NMR. Rakhmatullin, Aydar Polovov, Ilya B Maltsev, Dmitry Allix, Mathieu Volkovich, Vladimir Chukin, Andrey V BoÄa, Miroslav Bessada, Catherine Various Al2O3 powders were investigated and the following points are discussed on the basis of these results: X-ray line broadening analysis, structural changes during grinding, structural changes during annealing, influence of structural properties on sintering behavior and application of line broadening analysis to quality control of powders.Ĭombined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations. X-ray line broadening analysis gives quantitative data on structural changes of ceramic powders after different processing steps. A reasonably good powder pattern of small samples can be produced for identification purposes.Ĭharacterization of ceramic powders by an X-ray measuring method X-ray diffraction photographs of a powder specimen are characterized by improved resolution and greater intensity. Improved camera for better X-ray powder photographsĬamera obtains powder-type photographs of single crystals or polycrystalline powder specimens. ![]()
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