Search for dissertations about: "core level spectroscopy"

Showing result 1 - 5 of 85 swedish dissertations containing the words core level spectroscopy.

  1. 1. Core Level Spectroscopy of Water and Ice

    Author : Dennis Nordlund; Anders Nilsson; Martin Wolf; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; x-ray adsorption spectroscopy; photoemission spectroscopy; x-ray photoelectron spectroscopy; platinum; x-ray emission spectroscopy; density functional theory; hydrogen-bonded; H-bond; water; ice; electronic structure; excited state dynamics; proton dynamics; water adsorption; liquid water; Physics; Fysik;

    Abstract : A core level spectroscopy study of ice and water is presented in this thesis. Combining a number of experiments and spectrum calculations based on density functional theory, changes in the local valence electronic structure are shown to be sensitive to the local H-bonding configurations. READ MORE

  2. 2. Photoelectron spectroscopy on III-V semiconductors : valence bands, core levels and core excitons

    Author : Henric Oscarsson; Chalmers University of Technology; []
    Keywords : InP 110 :As; surface; InAs; valence band; MBE; photoelectron spectroscopy; core level; core exciton; semiconductor; GaAs 111 A;

    Abstract : .... READ MORE

  3. 3. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers

    Author : Torbjörn Rander; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Matthias Neeb; Uppsala universitet; []
    Keywords : Atomic and molecular physics; Free clusters; Electron spectroscopy; Doped clusters; Laser excitation; Alkali metals; Electronic structure; Geometric structure; X-ray photoelectron spectroscopy XPS ; Resonant Auger spectroscopy RAS ; Near-threshold x-ray absorption fine structure NEXAFS ; Ultraviolet photoelectron spectroscopy UPS ; Detuning; Ultra-fast dissociation UFD ; Sodium; Potassium; Oxygen; Bromomethane; Argon; Xenon; Krypton; Molecular field splitting; Core hole lifetime; Core excitation; Atom- och molekylfysik;

    Abstract : Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects. READ MORE

  4. 4. Calculations of Clean and Adsorbate Covered Metal Surfaces and their Core-Level Photoemission Spectra

    Author : Martin Birgersson; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; chemical shifts; density functional theory; Condensed matter:electronic structure; electrical; magnetic and optical properties; supraconductors; magnetic resonance; relaxation; Atomic and molecular physics; spektroskopi; magnetisk resonans; supraledare; magnetiska och optiska ; egenskaper elektriska; spectroscopy; Kondenserade materiens egenskaper:elektronstruktur; core-level photoemission; single crystal surfaces; Atom- och molekylärfysik; Fysicumarkivet A:2002:Birgersson; core-hole degeneracies; metal surfaces; adsorption; molecular vibrations;

    Abstract : The present thesis is concerned with the theoretical study of x-ray photoemission spectra from clean and adsorbate-covered metal surfaces. The main tool is ab initio density functional (DFT) total energy calculations. READ MORE

  5. 5. Ab initio simulations of core level spectra : Towards an atomistic understanding of the dye-sensitized solar cell

    Author : Ida Josefsson; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; multiconfigurational quantum chemistry; CASSCF calculations; core-level spectroscopy; x-ray photoelectron spectroscopy; x-ray absorption; resonant x-ray scattering; dye solar cells; transition metals; kemisk fysik; Chemical Physics;

    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