Sökning: "Doped clusters"
Visar resultat 11 - 15 av 15 avhandlingar innehållade orden Doped clusters.
11. First-Principles Modeling of Selected Heterogeneous Reactions Catalyzed by Noble-Metal Nanoparticles
Sammanfattning : 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. LÄS MER
12. New Materials for Spintronics : Electronic structure and magnetism
Sammanfattning : Materials exhibiting new functionalities due to interdependent electric (e.g. conductivity) and magnetic properties are potentially interesting for spintronics applications. LÄS MER
13. From the Electronic Structure of Point Defects to Functional Properties of Metals and Ceramics
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
14. Point defect interactions and structural stability of compounds
Sammanfattning : 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. LÄS MER
15. 3d Transition Metals Studied by Mössbauer Spectroscopy
Sammanfattning : 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. LÄS MER
