Search for dissertations about: "X-ray photoelectron spectra"
Showing result 1 - 5 of 44 swedish dissertations containing the words X-ray photoelectron spectra.
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1. 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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2. Soft X-ray Scattering Dynamics Close to Core Ionization Thresholds in Atoms and Molecules
Abstract : In this Thesis studies of highly excited states in gas-phase atoms and molecules (He, Ne, N2, O2, N2O and CO2) using a variety of synchrotron-radiation based techniques are presented. The three techniques used most frequently are X-ray-emission-threshold-electron coincidence (XETECO), X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) and they are all given a brief introduction. READ MORE
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3. Spontaneous and stimulated X-ray Raman scattering
Abstract : The present thesis is devoted to theoretical studies of resonant X-ray scattering and propagation of strong X-ray pulses. In the first part of the thesis the nuclear dynamics of different molecules is studied using resonant X-ray Raman and resonant Auger scattering techniques. READ MORE
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4. Modeling hybrid halide perovskites for solar cell applications : Simulations of electronic structure and X-ray spectroscopy
Abstract : Over the past 13 years, perovskites have become a very promising candidate in the search for cheap and effective photovoltaic materials for solar cells. Perovskite solar cell power conversion efficiency has increased from 3. READ MORE
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5. 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