Sökning: "molecular vibrations"

Visar resultat 6 - 10 av 64 avhandlingar innehållade orden molecular vibrations.

  1. 6. 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

  2. 7. Collective Excitation Dynamics in Molecular Aggregates

    Författare :Mats Dahlbom; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi; Fysik; Physics; computational methods; photosynthesis; femtosecond spectroscopy; Exciton; Polaron;

    Sammanfattning : The aim of this thesis is to study collective excitation dynamics in molecular aggregates. Half of the work presented here is method development and the remainder is application of these methods to several di.erent molecular aggregates. LÄS MER

  3. 8. Water in and on ionic materials : Structure, energetics, and vibrations

    Författare :Getachew Kebede; Kersti Hermansson; Marie-Pierre Gaigeot; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; dispersion interactions; OH stretching frequency; electric field; dipole moment; Hydrogen bond; ionic surfaces; ionic hydrates;

    Sammanfattning : Many chemical and physical phenomena in nature, in industrial processes, and in our daily lives take place at water/solid interfaces. The aim of this thesis is to further our knowledge of such processes at a molecular level. LÄS MER

  4. 9. 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

  5. 10. Building Systems for Electronic Probing of Single Low Dimensional Nano-objects : Application to Molecular Electronics and Defect Induced Graphene

    Författare :Syed Hassan Mujtaba Jafri; Klaus Leifer; Aidan Quinn; Uppsala universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Graphene; defect induced graphene; molecular electronics; nanoelectrodes; nanoparticles; conductivity; junction; nanomaterial; focused ion beam; surface functionalization; electrical characterization; Teknisk fysik med inriktning mot materialanalys; Engineering Science with specialization in Materials Analysis;

    Sammanfattning : Nano-objects have unique properties due to their sizes, shapes and structure. When electronic properties of such nano-objects are used to build devices, the control of interfaces at atomic level is required. LÄS MER