Search for dissertations about: "X-ray absorption spectroscopy"
Showing result 16 - 20 of 217 swedish dissertations containing the words X-ray absorption spectroscopy.
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16. Ab initio simulations of core level spectra : Towards an atomistic understanding of the dye-sensitized solar cell
Abstract : The main focus of this thesis is ab initio modeling of core level spectra with a high-level quantum chemical description both of the chemical interactions and of local atomic multiplet effects. In particular, the combination of calculations and synchrotron-based core-level spectroscopy aims at understanding the local structure of the electronic valence in transition metal complexes, and the details of the solvation mechanisms of electrolyte solutions, systems relevant for the dye-sensitized solar cell. READ MORE
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17. Nuclear Dynamics in X-ray Absorption and Raman Scattering
Abstract : This thesis presents theoretical studies of several x-ray spectroscopies - x-ray absorption, x-ray photoelectron emission, radiative and non-radiative resonant Raman scattering spectroscopy. The main focus point is investigating the influence of nuclear dynamics on these spectra for a variety of small molecules - naphthalene, biphenyl, ethylene, the water dimer, HCl, CO. READ MORE
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18. X-ray Absorption and Fragmentationas Initial Steps of Radiation Damage in Free Organic Molecules and Nanoparticles
Abstract : Understanding the molecular radiation damage is crucial in radiobiology, molecular physics, and atmospheric science. In this thesis, the initial steps of radiation damage of anhydrous gas-phase molecules and hydrated nanoparticles were studied using synchrotron radiation based electron-ion coincidence spectroscopy and X-ray absorption spectroscopy under vacuum conditions. READ MORE
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19. Theory of X-ray Absorption Spectra and Spin Transfer Torque
Abstract : The subjects of the thesis are theoretical first principles calculations of X-ray absorption (XA) spectra and current induced spin transfer torque. XA spectra calculated from atomic multiplet theory and from band structure calculations, based on density functional theory for La0.7Sr0.3MnO3 have been compared to experiment. READ MORE
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20. Electronic structure investigations of transition metal complexes through X-ray spectroscopy
Abstract : Catalysts based on the first-row (3d) transition metals are commonly seen in chemical and biological reactions. To understand the role of the transition metal in the catalyst, the element specific technique core level spectroscopy is used to probe the electronic structure and geometric properties centered around the metal site. READ MORE
