Sökning: "molecular chemisorption"

Visar resultat 1 - 5 av 19 avhandlingar innehållade orden molecular chemisorption.

  1. 1. Molecular Electronics : A Theoretical Study of Electronic Structure of Bulk and Interfaces

    Författare :Mikael Unge; Sven Stafström; Mads Brandbyge; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molecular electronics; electron transport; disorder; localization; long-range correlation; organometallic magnets; interface dipole; Computational physics; Beräkningsfysik;

    Sammanfattning : This thesis deals with theoretical studies of the electronic structure of molecules used in the context of molecular electronics. Both studies with model Hamiltonians and first principle calculations have been performed. LÄS MER

  3. 2. 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

  4. 3. Structured molecular sieves : synthesis, modification and characterization

    Författare :Valeri Naydenov; Luleå tekniska universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Chemical Technology; Kemisk teknologi;

    Sammanfattning : The work presented concerns synthesis of structured molecular sieves. The preparation procedure is based on the use of ion exchange resins as macrotemplates. Macroporous cation or anion exchange resin types were used depending on the molecular sieve type to be synthesized. LÄS MER

  5. 4. Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics

    Författare :Tanveer Hussain; Rajeev Ahuja; Caetano R. Miranda; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Hydrogen storage; Chemisorption; Physisorption; Functionalization; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The exponential increase in the demands of world’s energy and the devastating effects of current fossil fuels based sources has forced us to reduce our dependence on the current sources as well as finding cleaner, cheaper and renewable alternates. Being abundant, efficient and renewable, hydrogen can be opted as the best possible replacement of the diminishing and harmful fossil fuels. LÄS MER

  7. 5. Adsorption of Molecular Hydrogen on Cu, Pd and Ni Surfaces

    Författare :Krister Svensson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron energy loss spectroscopy; nickel; molecular chemisorption; hydrogen; palladium; physisorption; photodesorption; copper;

    Sammanfattning : This thesis is devoted to spectroscopic studies of molecular hydrogen adsorbed on metal surfaces. Hydrogen is the simplest molecule available and is a very valuable model adsorbate. From a spectroscopic point of view there are also three easily accessible molecular isotopes, H2, HD and D2, with widely different masses. LÄS MER