Search for dissertations about: "Doped clusters"

Showing result 11 - 15 of 15 swedish dissertations containing the words Doped clusters.

  2. 11. First-Principles Modeling of Selected Heterogeneous Reactions Catalyzed by Noble-Metal Nanoparticles

    Author : Xinrui Cao; Yi Luo; Peijun Hu; KTH; []
    Keywords : ;

    Abstract : Heterogeneous catalysis is an important branch in catalysis, in which the catalyst and reactants are in different physical phases. In this thesis, we have carried out extensive first-principles calculations to explore the selected heterogeneous reactions catalyzed by the noble-metal nanoparticles. READ MORE

  4. 12. New Materials for Spintronics : Electronic structure and magnetism

    Author : Ronny Knut; Olof Karis; Biplab Sanyal; Hermann Durr; Uppsala universitet; []
    Keywords : 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;

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

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

    Author : David Andersson; Börje Johansson; Pavel Korzhavyi; Benjamin Burton; KTH; []
    Keywords : 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;

    Abstract : 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. READ MORE

  6. 14. Point defect interactions and structural stability of compounds

    Author : Vitaly Baykov; Börje Johansson; Peter Mohn; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; first principles; ab initio; density functional theory; point defects interactions; diluted magnetic semiconductors; structural stability; zirconium alloys; Other materials science; Övrig teknisk materialvetenskap;

    Abstract : Theoretical studies of point defect interactions and structural stability of compounds have been performed using density functional theory. The defect-related properties, such as activation energy of diffusion, electronic and magnetic structure of selected materials have been studied. READ MORE

  7. 15. 3d Transition Metals Studied by Mössbauer Spectroscopy

    Author : Saeed Kamali-Moghaddam; Roger Wäppling; Lennart Häggström; Friedrich Wagner; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Mössbauer Spectroscopy; SQUID Magnetometry; XRD; Layered Structures; Magnetism; Magnetic Superlattices; Nanoparticles; Li-ion Batteries; Brass; Fysik; Physics; Fysik;

    Abstract : Layered crystals with magnetic elements as Co and Fe have been studied. In TlCo2Se2, where Co atoms in one sheet are separated by Tl and Se from the next Co sheet, magnetic interaction within and between the sheets have been studied. READ MORE