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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 20 of 40 for “"X-ray absorption near edge structure"”.
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Soft x-ray near edge spectroscopy of cuprous oxide and silicon-germanium alloys
High resolution soft x-ray absorption near edge structure (XANES) spectra have been obtained for CU20 and for SiGe1-x semiconductor alloys, xas a function of composition x, using the methods of partial electron yield and thin film absorption. The shapes of the near edge features provide a unique …
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Spectroscopic and Kinetic Studies of Hydrodenitrogenation and Hydrodesulfurization over Supported Nickel Phosphide (Ni₂P)
… of these catalytic materials using X-ray diffraction (XRD), temperature-programmed reduction (TPR), Fourier transform infrared (FTIR) spectroscopy and X-ray absorbance fine structure (XAFS) spectroscopy. In situ FTIR was employed to study the acidity of Ni₂P/SiO₂ and probe the …
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Studies in Magnetism and Superconductivity under Extreme Pressure
… Studies of superconductivity, magnetism and structure under pressure have made important contributions to furthering our understanding of the physical properties of materials. High pressure can change the superconducting transition temperature, create new superconductors, change the magnetic …
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Structure of cathode-electrolyte interfaces and correlation with ionic conductivity in Solid Oxide Fuel Cell devices
… compatibility study was carried out with X-ray Diffraction (XRD), Secondary Electrons Microscopy (SEM), X-ray microspectroscopy, X-ray Absorption Near Edge Structure (XANES) and electrochemical Impedance spectroscopy (EIS). XRD was used to evaluate the materials chemical reactivity through …
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Advancing the treatment of relativistic theory within the OLCAO package and with application to solar photovoltaic technologies
… is a promising perovskite material for the absorption layer in solar cells. While its bulk electronic structure is favorable, its long-term stability and interface design remain as primary concerns before it can be used for commercial production. Although experimental methods such as X-ray …
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Arene bridged diuranium compounds supported by amide and ketimide ligands
… 1: The Intriguing Geometric and Electronic Structure of Arene-Bridged Diuranium Tetrakisamido Complexes The focus of this chapter is to characterize and contextualize the bridged arene complex (-toluene)U2(N[t-Bu]Ar)4 (lb2-gl-toluene, Ar = 3,5-C6H3Me2). To do so, lb2-g-toluene is compared …
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Sulphur Chemistry in KOH-SO2 Activation of Fluid Coke and Mercury Adsorption from Aqueous Solutions
… and the highest sulphur content was 8.1 wt%. K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy was employed to characterize the sulphur in fluid cokes and SIACs. The results revealed that the sulphur on fluid coke surface was mainly in the form of organic sulphide and thiophene …
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Ab initio computational applications to complex biomolecular systems
… quantum mechanical viewpoint. The calculated K-edge x-ray absorption near edge structure (XANES) spectra of all 340 oxygen atoms in the model have been accumulated to reproduce the experimental one. The spectra were shown to be very sensitive to the HB configurations of O atoms, which could be …
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Structure, morphology and reaction mechanisms of novel electrode materials for lithium-ion batteries
… of excess Li does not change the average crystal structure; however, it alters the cycling performance greatly. This suggests that the local structure governs the electrochemical behaviour. This motivated us to employ the pair distribution function (PDF) technique to probe the local structure. The …
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Studies on the biotransformation of chromium (VI) by methane oxidising bacteria.
… coupled to inductively coupled plasma atomic absorption spectroscopy (ICP-MS), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDSX), X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS). The results indicate that …
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Ultrafast extreme ultraviolet spectroscopy of transition metal dithiolate coordination complexes
Transient tabletop M-edge x-ray absorption near edge structure (XANES) spectroscopy using extreme ultraviolet (XUV) light is used as a tool to interrogate the evolution of the metal center in a series of transition metal dithiolate complexes. The behavior of these molecules after absorption of …
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Machine Learning-Augmented Spectroscopies for Intelligent Materials Design
… the sample parameters of proximity-coupled heterostructures from their polarized neutron reflectometry profiles with high resolution. Finally, we study the capacity of machine learning models to extract “hidden” insights from spectral data by developing a neural network classifier of materials’ …
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Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
… physical and mechanical properties, but puzzling structures. The uncertain stoichiometric value of foreign elements in boron-rich compounds greatly influences the physical and chemical properties. To study this effect, pure elemental boron which has six allotropes (α-r-B12, γ-B28, α-t-B51, …
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XANES und MEXAFS an magnetischen Übergangsmetalloxiden : Entwicklung eines digitalen Lock-In-XMCD-Experiments mit Phasenschieber
… Interference Device) Magnetometrie und XMCD-(X-ray Magnetic Circular Dich-roism) Messungen an den jeweiligen Absorptionskanten (XANES: X-ray Absorption Near Edge Structure) sowie im kantenfernen Bereich (MEXAFS: Magnetic Extended X-ray Ab-sorption Fine Structure) im Hinblick auf die Klärung …
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Oxygen evolution mediated by co-based thin film electrocatalysts
… reaction (OER) is described and details of its structure, valency, mechanism of action, and mechanism of formation at intermediate pH are elaborated. The catalyst is obtained as an electronically conductive, porous thin film by electrolysis of Co2 in aqueous phosphate, methylphosphonate, or …
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Development of Advanced Nanomaterials for Potential Lithium-Ion Battery Application
… The first section was to develop novel nanostructured electrode materials, which could be directly used in LIBs. The other section was to develop various surface-modification materials, which could be applied to further improve the LIB performance of electrode materials. Various advanced …
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Experimental constraints on the thermodynamic modelling of siderophile element distribution during core-segregation and basalt petrogenesis
… control their distribution between phases. An X-ray absorption near edge structure (XANES) spectroscopic study of silicate glasses, synthesized at high pressure and quenched isobarically, has been conducted in order to assess the effect of pressure on the coordination environment of divalent Ni, …
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Experimental constraints on the thermodynamic modelling of siderophile element distribution during core-segregation and basalt petrogenesis
… control their distribution between phases. An X-ray absorption near edge structure (XANES) spectroscopic study of silicate glasses, synthesized at high pressure and quenched isobarically, has been conducted in order to assess the effect of pressure on the coordination environment of divalent Ni, …
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Structural and thermodynamic properties of sodium actinide ternary oxides
… products are numerous, but there is little knowledge of their structural and thermodynamic properties. Under the oxygen potential conditions of the reactor, pentavalent $Na_3AnO_4$ (An=U,Pu,Np) is expected to form, but its structure was the subject of controversy until now. We showed that …
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The distribution and speciation of trace elements in bovine ovaries using synchrotron techniques
… used a combination of two synchrotron-based X-ray techniques, X-ray absorption spectroscopy (XAS) and X-ray fluorescence (XRF) imaging, to investigate the role that trace elements play in female reproductive function. More specifically, by probing the in situ bioaccumulation of trace elements …
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