Sökning: "single crystal surfaces"

Visar resultat 1 - 5 av 60 avhandlingar innehållade orden single crystal surfaces.

  1. 1. Molecular overlayers on homogeneous and heterogeneous metal surfaces studied by core-level photoemission

    Författare :Maria Smedh; Fysiska institutionen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; photoelectron spectroscopy; core-level photoemission; electron energy loss spectroscopy; single crystal surfaces; metal surfaces; heterogeneous surfaces; adsorption; adsorbed molecules; hydrocarbons; molecular vibrations; carbon monoxide; adsorption sites; adsorption energy; diffusion; dissociation; Physics; Fysik; Fysicumarkivet A:2001:Smedh;

    Sammanfattning : The main topic of this thesis is the investigation of small molecules adsorbed on metal surfaces by means of core-level photoemission spectroscopy. The thesis consists of three parts; The first group of papers concerns the effects of internal molecular vibrations on the core-level photoemission spectra. LÄS MER

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

    Författare :Martin Birgersson; Matematisk fysik; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  4. 3. Dynamics of metal oxides surfaces and the connection to reactivity

    Författare :Micael Baudin; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; metal oxide surfaces; single crystal; molecular dynamics; dynamical effects onreactivity; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Many interesting chemical and physical phenomena which take place on surfaces of metaloxides rely on the material's ability to repeatedly alter the electronic surface structure. Formost metal oxides this functionality is connected to the degree of non-stoichiometry andthe presence of structural defects. LÄS MER

  5. 4. Geometrical Structure, Phase Diagrams, and Core-Level Binding Energiesof Metal Surfaces: Calculations, Simulations, and Experiments

    Författare :Mikael Borg; Synkrotronljusfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; adsorption; chemical shifts; low energy electron diffraction; Monte Carlo simulations; Condensed matter:electronic structure; electrical; magnetic and optical properties; Kondenserade materiens egenskaper:elektronstruktur; spectroscopy; relaxation; magnetic resonance; supraconductors; spektroskopi; magnetisk resonans; supraledare; egenskaper elektriska; magnetiska och optiska ; molecular vibrations; density functional theory; single crystal surfaces; core-level photoemission; metal surfaces; Fysicumarkivet A:2003:Borg;

    Sammanfattning : This thesis concerns clean and adsorbate covered metal surfaces and surface alloys. These systems have been studied using theoretical and experimental methods. In the first part of the thesis, the different techniques that have been utilized in this work are presented, and the included publications are summarized. LÄS MER

  7. 5. Molecular Alligator Clips: A Study of Metal-Molecule Contacts for Molecular Electronics

    Författare :Anton Grigoriev; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nonequilibrium Green s functions; single crystal surfaces; nanostructures; chemisorption; selenium; low index single crystal surface; density functional calculations; organic molecules; sulphur; nonequilibrium electron transport; gold;

    Sammanfattning : In this thesis we present a computational study of the elementary building blocks for molecular electronics, interconnected electronic devices with critical dimensions below 5 nm. Building electronic circuits on that scale requires stable connection between the various parts of the device and to the macroscopic metal electrodes, needed for power supply, support and integration with conventional electronics. LÄS MER