Sökning: "electronic structure and diffusion"

Visar resultat 1 - 5 av 79 avhandlingar innehållade orden electronic structure and diffusion.

  1. 1. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers

    Författare :Torbjörn Rander; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Matthias Neeb; Uppsala universitet; []
    Nyckelord :Atomic and molecular physics; Free clusters; Electron spectroscopy; Doped clusters; Laser excitation; Alkali metals; Electronic structure; Geometric structure; X-ray photoelectron spectroscopy XPS ; Resonant Auger spectroscopy RAS ; Near-threshold x-ray absorption fine structure NEXAFS ; Ultraviolet photoelectron spectroscopy UPS ; Detuning; Ultra-fast dissociation UFD ; Sodium; Potassium; Oxygen; Bromomethane; Argon; Xenon; Krypton; Molecular field splitting; Core hole lifetime; Core excitation; Atom- och molekylfysik;

    Sammanfattning : Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects. LÄS MER

  3. 2. New Materials for Spintronics : Electronic structure and magnetism

    Författare :Ronny Knut; Olof Karis; Biplab Sanyal; Hermann Durr; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Spintronics; X-ray photoemission; XPS; XMCD; XAS; magnetic semiconductors; HIKE; HAXPES; multilayer; monte carlo; magnetism; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Materials exhibiting new functionalities due to interdependent electric (e.g. conductivity) and magnetic properties are potentially interesting for spintronics applications. LÄS MER

  4. 3. Energy Storage Materials: Insights From ab Initio Theory : Diffusion, Structure, Thermodynamics and Design

    Författare :Rafael Barros Neves de Araújo; Rajeev Ahuja; Graeme Henkelman; Uppsala universitet; []
    Nyckelord :Density Functional Theory; Defects Diffusion; Thermodynamics and Batteries.;

    Sammanfattning : The development of science and technology have provided a lifestyle completely dependent on energy consumption. Devices such as computers and mobile phones are good examples of how our daily life depends on electric energy. LÄS MER

  5. 4. Structural, Electronic and Mechanical Properties of Advanced Functional Materials

    Författare :Muhammad Ramzan; Rajeev Ahuja; S. K. Saxena; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; Hydrogen storage; Rechargeable batteries; Amorphization; Electronic structure; Crystal strcuture; Molecular dynamics; Diffusion; Intercalation voltage; High pressure; MAX phases; Mechanical properties; Optical properties; Phase change memory; Spintronics; Magnetism; Correlation effects; Band structure; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The search for alternate and renewable energy resources as well as the efficient use of energy and development of such systems that can help to save the energy consumption is needed because of exponential growth in world population, limited conventional fossil fuel resources, and to meet the increasing demand of clean and environment friendly substitutes. Hydrogen being the simplest, most abundant and clean energy carrier has the potential to fulfill some of these requirements provided the development of efficient, safe and durable systems for its production, storage and usage. LÄS MER

  7. 5. From the Electronic Structure of Point Defects to Functional Properties of Metals and Ceramics

    Författare :David Andersson; Börje Johansson; Pavel Korzhavyi; Benjamin Burton; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; first principles; ab initio; density functional theory; Calphad; point defects; diffusion; solid electrolytes; oxygen storage materials; Material physics with surface physics; Materialfysik med ytfysik;

    Sammanfattning : Point defects are an inherent part of crystalline materials and they influence important physical and chemical properties, such as diffusion, hardness, catalytic activity and phase stability. Increased understanding of point defects enables us to tailor the defect-related properties to the application at hand. LÄS MER