Search for dissertations about: "lattice defects"

Showing result 1 - 5 of 108 swedish dissertations containing the words lattice defects.

  2. 1. Atomistic simulations of lattice defects

    Author : Mattias Forsblom; Grimvall Göran; Kai Nordlund; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical physics; Teoretisk fysik; Physics; Fysik;

    Abstract : Mechanical properties of solids are governed by crystal imperfections. Computational materials science is largely concerned with the modelling of such defects, e.g. their formation, migration, and interaction energies. READ MORE

  4. 2. Lattice dynamics in perovskites for green energy applications: A theoretical perspective

    Author : Petter Rosander; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; density func- tional theory; perovskites; defects; lattice dynamics; thermodynamic modelling; force constants; oxides;

    Abstract : Electrolyzers and fuel cells are used in green energy applications, electrolyzers split water to produce hydrogen, which can then be used in fuel cells to produce energy. Oxide perovskites have shown favorable properties for applications in this area, e.g., as electrolyte and cathode material in fuel cells and electrolyzers. READ MORE

  5. 3. Defects in Bismuth Vanadate: Insights from First Principles

    Author : Nicklas Österbacka; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; defects; oxides; semiconductors; density functional theory;

    Abstract : Photoelectrochemical water splitting is an attractive technique for sustainable hydrogen production, but its efficiency is heavily dependent on the properties of the semiconducting photoelectrodes used in the process. These properties are intimately connected to the presence of point defects in the materials, and understanding this relationship is a key step towards the development of better photoabsorbers. READ MORE

  6. 4. Defects in Titanium Aluminum Nitride-Based Thin Films

    Author : Janella Salamania; Magnus Odén; Lars Johnson; Lina Rogström; Zoe Barber; Linköpings universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Thin films; Ti-Al-N; Defects; Physical vapor deposition;

    Abstract : Coatings and thin films inherently contain several types of defects. This thesis aims to enhance the understanding of the relationship of defects on the growth, structure, stability, and properties of titanium aluminum nitride films synthesized by physical vapor deposition techniques. READ MORE

  7. 5. On hydrogen point defects in perovskite oxides

    Author : Erik Jedvik Granhed; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; density functional theory; oxyhydride; phonon; point defects; chemical expansion; polaron; BaZrO3; proton conductor; BaTiO3;

    Abstract : Oxides based on the perovskite structure exhibit a surprisingly large diversity in materials properties and are found in many different applications, several related to clean energy technologies, such as solar cells, batteries and fuel cells. Many properties in materials are the result of lattice imperfections, commonly denoted \emph{defects}, and much effort is devoted to fine tuning materials properties through controlling the defects therein. READ MORE