Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 9 of 9 for “"Pair distribution function analysis"”.
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Application of Radial Distribution Functions to Diffraction and Imaging Data: Interfacial Structures, Amorphous, Disordered Materials
… of this thesis is the application of radial and pair distribution function analysis to materials characterisation problems for nanotechnology. These concepts are introduced in Chapter 1, and the associated methods are described in Chapter 2. Chapter 3 details the first of the results which …
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Diffraction Between the Spots: Scanning Electron Diffraction of Beam-sensitive Disordered Materials
… Nonetheless, these disordered materials are functionally complex and require characterisation. Their lack of crystallinity poses not only fundamental questions about how to best describe such structures, but also blunts the typically precise tools of crystallography in describing atomic …
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Hafnium Metal-Organic Frameworks: Formation Routes and Defect Engineering
… nanosheets or nanowires gives a wide range of functionalities for real-world applications. The deliberate introduction of defects into a MOF, or ‘defect engineering’, is a particularly significant method of modifying its properties. The UiO family of MOFs, comprising hafnium or zirconium …
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Local structure of hybrid metal-halide perovskites
… in direct- ing the crystal structure. Density functional theory calculations confirmed the experimental observations of the hybrid and inorganic mixed-halide systems. The findings are consis- tent with the formation of an orientational glass on the MA+ sublattice. Temperature and composition …
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A study of the synthesis, structure, and ionic conductivity of sodium and lithium lanthanide pyrosilicates, A3LnSi2O7
… These structural models were corroborated by pair distribution function analysis, bond length analysis, and bond-valence calculations. Potential conduction pathways within the A3LnSi2O7 structures were identified with bond-valence methods and used to propose conduction mechanisms for alkali …
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Extreme Disorder in Metal–Organic Frameworks
Metal–organic frameworks are emerging as a highly functional class of hybrid materials. Once believed to be rigid and well-ordered structures, a growing number of studies are proving this is not always the case. This thesis focuses on the atomic structure, physical properties and formation …
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High Performance Lead--free Piezoelectric Materials
… and piezoelectric behavior and dynamical scaling analysis was performed to reveal the origin of their moderate piezoelectric performance. Optical birefringence technique used to reveal the macro level crystallographic nature of x = 0.4, 0.5 and 0.6 crystals suggested them to have monoclinic Mc, …
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Synthesis and Characterisation of new materials formed from metal-organic frameworks and glasses
… structures. They are emerging as functional materials for gas storage and separation, catalysis and drug delivery. However, a drawback to their widespread application is that they are conventionally synthesised as microcrystalline powders. Heightened interest has been focused on a …
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The Local Structure of Sodium-Ion Anodes During Electrochemical Reactions
… disordered phases, and as such, we focus on pair distribution function analysis (PDF) and solid-state NMR as local structure probes for our structural characterisation. Furthermore, to avoid relaxation effects in metastable intermediates, much of this work uses \operando methods. We present …