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From Average to Local Structure (PDF & a Rietveld Study of Zeolite-NdY/Se System)

Simon Moss (University of Houston)

PDF and Rietveld studies of dry Se/zeolite-NdY system will be presented. Deviations of the local structure from the average structure will be highlighted using a Rietveld refinement and an r-series PDF fitting. Distortions of the framework due to the encapsulated guest atoms, especially in the vicinity of the Se nanoclusters, are observed in the PDF model, while the Rietveld refinement yielded an average structural model for the system. The need of both techniques to accurately model structures of such systems will be emphasized. Our future plains include QENS, and extending this study towards nanoclusters in single crystals and different hosts, will also be discussed.

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