Search for dissertations about: "chemical ordering"

Showing result 1 - 5 of 74 swedish dissertations containing the words chemical ordering.

  1. 1. Structure and chemical ordering in metallic nanoparticles from atomic scale modeling

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Magnus Rahm; [2019]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; nanoparticles; regular truncated octahedron; chemical ordering; nanoparticle shapes; molecular dynamics; icosahedron; Monte Carlo; modeling; Marks decahedron; nanoparticle structures;

    Abstract : In the last decades, a wide range of attractive properties have put metallic nanoparticles in the spotlight. These properties, often related to optical response and catalytic performance, are to a large extent dependent on structure and chemical ordering, that is, the distribution of elements in the nanoparticle. READ MORE

  2. 2. Ordering of atoms and vacancies in cubic gamma brasses

    University dissertation from Stockholm : Stockholm University

    Author : Lars Arnberg; [1979]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : .... READ MORE

  3. 3. Magnetic ordering and crystal structure in selected transition- metal compounds

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Hui-Ping Liu; Uppsala universitet.; [1999]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; transition-metal compounds; magnetic ordering; crystal structure; magneticstructure; neutron diffraction; Kemi; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; Inorganic Chemistry; oorganisk kemi;

    Abstract : Applications of magnetic materials are inherently related to their crystal, magnetic and electronic structures. In this thesis, experimental and theoretical methods have been focused on magnetic bulk materials from novel chemical synthesis, to X-ray diffraction for initial phase characterisation, and crystal and magnetic structure studies to explain their complex magnetic properties. READ MORE

  4. 4. Modelling Chemical Reactions Theoretical Investigations of Organic Rearrangement Reactions

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Per-Erik Larsson; Uppsala universitet.; [2003]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; Quantum Chemistry; Kvantkemi;

    Abstract : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. READ MORE

  5. 5. Beyond average crystal structures: understanding extended and local environments in proton-conducting Sc-substituted BaTiO3 perovskites

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Nico Torino; [2019]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; proton conducting oxide; IR; thermogravimetry; perovskite; neutron scattering; Raman; Reverse Monte Carlo; ordering; BaTiO3;

    Abstract : Proton conducting ceramics are very promising for applications concerned with energy sourcing with cleaner, safer, more abundant and cheaper alternatives to fossil fuels. These materials are still in development and advances in the field depend on a better understanding of the role of defects, their identification and location in the host framework, and the assessment of their short- and long-range dynamics and kinetics. READ MORE