Sökning: "surface disorder"

Visar resultat 1 - 5 av 87 avhandlingar innehållade orden surface disorder.

  1. 1. Molecular Beam Studies of Ice Surface Properties

    Författare :Martina Suter; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Ice; surface; molecular beam; collision; dynamics; surface disorder; water condensation; helium; argon; carbon dioxide;

    Sammanfattning : .... LÄS MER

  3. 2. Theoretical Developments for the Real-Time Description and Control of Nanoscale Systems

    Författare :Miroslav Hopjan; Matematisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Green’s Function; DFT; TDDFT; Hubbard Model; Many-Body Perturbation Theory; Strongly Correlated Systems; Quantum Transport; Disorder; Ehrenfest Dynamics; Electronic Friction; Exact Diagonalization; Periodic Anderson Model; Fysicumarkivet A:2018:Hopjan;

    Sammanfattning : In this thesis we focus on improvements of the description of the electron-electron correlation effects in nonequilibrium nanosystems. We mainly focus on developments of two nonequilibrium methods, namely the formalism of Nonequilibrium Green’s Function and Time Dependent Density Functional Theory and we explore the possibility to improve existing approximations in these theories. LÄS MER

  4. 3. Adsorption of Molecules on Metal Surfaces Studied by High Resolution Core Level Photoemission

    Författare :Andreas Beutler; Synkrotronljusfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Core level photoemission; molecules; adsorption; single crystal surfaces; metals; metal films; vibrations of adsorbed molecules; surface ordering; carbon monoxide; photoelectron spectroscopy; surface diffusion; Atomic and molecular physics; Atom- och molekylärfysik; Fysicumarkivet A:1998:Beutler;

    Sammanfattning : Various aspects of the adsorption of molecules on metal surfaces have been studied making use of different properties of high resolution core level photoemission. A thorough investigation has been performed of the ordering and the site occupancy of CO overlayers on Rh(111). CO has been shown to adsorb in on-top and three-fold-hollow sites. LÄS MER

  5. 4. A Theoretical Perspective on the Chemical Bonding and Structure of Transition Metal Carbides and Multilayers

    Författare :Mikael Råsander; Olle Eriksson; Biplab Sanyal; Risto Nieminen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Electronic structure; transition metal carbides; density functional theory; disorder; multilayers; chemical bonding; materials science; Condensed matter physics; Kondenserade materiens fysik; Materialvetenskap; Materials Science;

    Sammanfattning : The present thesis deals with a theoretical description of issues regarding chemical bonding, structure and stability of transition metal carbides and multilayered structures. First principles density functional theory has been used extensively to investigate the properties of alloyed solutions of transition metal carbides. LÄS MER

  7. 5. 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