Sökning: "interface dipole"

Visar resultat 11 - 15 av 23 avhandlingar innehållade orden interface dipole.

  1. 11. Atomistic computer simulations of lipid bilayers

    Författare :Jakob Wohlert; Olle Edholm; Siewert-Jan Marrink; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik;

    Sammanfattning : Computer simulation has become an important tool for the study of biomolecular systems. This thesis deals with molecular dynamics simulations of one-component lipid bilayers, which may serve as models for biological membranes. LÄS MER

  3. 12. Modelling and Simulation of Electro-catalysts for Green Energy : From Solvated Complexes to Solid-Liquid Interfaces

    Författare :Jose Luis Lima de Jesus Silva; Moyses Araujo; Mårten Ahlquist; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; Hydrogen Evolution Reaction; Hybrid Structures; Ruthenium Complexes; XPS; OER; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : In this thesis, I have worked with solid-liquid interfaces, adsorbed molecules on the surface, and solvated complexes using Density Functional Theory (DFT) calculations to find possible signatures that could help design suitable energy materials. More specifically, I have explored hybrid electrocatalysts for hydrogen evolution reaction (HER), XPS fingerprints of gas-phase melamine (monomer, dimer, trimer, and hexagonal packed arrangement), hexagonally packed melamine adsorbed on the Au(111) surface, and high-valence Ruthenium complexes along a reaction pathway in aqueous solution through a joint theory-experiment approach. LÄS MER

  4. 13. Novel Phenomena in Superconductors and Superfluids: Boundary States, Spiral Magnetic Fields, and Solitons

    Författare :Albert Samoilenka; Egor Babaev; Max Metlitskii; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical Physics; Teoretisk fysik;

    Sammanfattning : This PhD thesis presents a comprehensive study of superconducting and superfluid states in a variety of physical systems.The research is based on 12 papers that explore different phenomena in-depth.One of the significant contributions of the thesis is the discovery of boundary states in superconductors. LÄS MER

  5. 14. Nanostructured electromagnetic metasurfaces at optical frequencies

    Författare :Nils Odebo Länk; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; high-index nanophotonics; colloidal lithography; metasurfaces; geometric resonances; nanostructures; plasmonics;

    Sammanfattning : Electromagnetic metasurfaces are broadly defined as optically thin layersthat are structured on the subwavelength scale. In general, metasurfacesthus consist of nanoparticles, or other kinds of ”meta-atom”, arranged insome pattern where both the individual particle sizes and the inter-particledistances are much smaller than the wavelength. LÄS MER

  7. 15. Electronic properties of complex interfaces and nanostructures

    Författare :Paulo V. C. Medeiros; Sven Stafström; Gueorgui Gueorguiev; Jonas Björk; Arkady Krasheninnikov; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis investigates the structural and electronic properties of graphene, polyaromatic hydrocarbon (PAH) molecules, and other carbon-based materials, when interacting with metallic surfaces, as well as under the influence of different types of perturbations. Density functional theory, incorporating van der Waals interactions, has been employed. LÄS MER