Area Detector Optimization for Quantitative Analysis of High Resolution Pair Distribution Function Data




Prater, Darren

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University of Guelph


A quantitative high resolution pair distribution function (HR-PDF) analysis is developed for use with large area detectors for synchrotron X-ray scattering measurements. Area detectors enable fast acquisition of scattering data and analysis of samples undergoing phase transitions or multiple sample comparisons. Optimization of the HR-PDF method using an area detector for quantitative analysis allows measurements of lattice constant, thermal expansion, and coordination number. A bulk gold powder sample is used as a standard for optimizing the analysis method. To demonstrate the versatility of the method, gold nanoparticles, bulk platinum, and platinum nanoparticles are measured and analysed. To increase reciprocal space coverage, the area detector is placed at an angle with the X-ray beam. The production of a 1D scattering pattern from the data collected by the tilted area detector is discussed in detail. The accuracy and precision required to conduct quantitative analysis is discussed.



Pair Distribution Function, Radial Distribution Function, X-ray Diffraction, Area Detector, Nanoparticle, Levenberg Marquardt, Lattice Constant, Coordination Number, Thermal Expansion, Gold, Platinum