Sökning: "oxygen vacancy"

Visar resultat 1 - 5 av 31 avhandlingar innehållade orden oxygen vacancy.

  1. 1. Oxygen Vacancy Chemistry in Ceria

    Författare :Jolla Kullgren; Kersti Hermansson; Shluger Alex; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Ceria; Density Functional Theory; Oxygen storage; Nano crystals; Sulfur poisoning; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

    Sammanfattning : Cerium(IV) oxide (CeO2), ceria, is an active metal oxide used in solid oxide fuel cells and for the purification of exhaust gases in vehicle emissions control. Behind these technically important applications of ceria lies one overriding feature, namely ceria's exceptional reduction-oxidation properties. LÄS MER

  2. 2. Mechanistic Approach to Corrosion of Zirconium by Water - A First Principle Study

    Författare :Mikaela Lindgren; Chalmers University of Technology; []
    Nyckelord :NATURVETENSKAP; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; ENGINEERING AND TECHNOLOGY; zirconium; hydrogen pick-up; corrosion; oxygen vacancy; DFT;

    Sammanfattning : Zirconium and zirconium oxides are of major technological importance. There are broad applications for these materials, from fuel cell electrolyte to semiconductors and in hip-implants. In nuclear power plants, zirconium alloys are widely used as cladding material to contain the fission fuel in the reactor cores. LÄS MER

  3. 3. Proton conductivity of lanthanum and barium zirconate: Microscale aspects on first-principles basis

    Författare :Joakim Nyman; Chalmers University of Technology; []
    Nyckelord :NATURVETENSKAP; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; ENGINEERING AND TECHNOLOGY; first principles; trapping; conductivity; grain boundary; segregation; pyrochlore; space charge; solid oxide fuel cell; depletion; electrolyte; La2Zr2O7; oxygen vacancy; BaZrO3; proton; DFT; point defect; perovskite; acceptor;

    Sammanfattning : Fuel cells are devices which convert chemical energy into electrical energy cleanly and efficiently. Development of fuel cells compatible with hydrocarbon fuels would make more efficient use of present fossil and renewable fuels, and also enable progress towards a future hydrogen economy. LÄS MER

  4. 4. Everything is imperfect: Studies on point defects in insulators

    Författare :Christopher Linderälv; Chalmers University of Technology; []
    Nyckelord :boron nitride; band alignment; oxygen vacancies; insulator; optical lineshape; point defects; density functional theory; wide band gap oxides;

    Sammanfattning : Point defects can be detrimental or absolutely necessary for the performance of a material. Due to the implications defects have on a material, defects have been widely studied over the last century. LÄS MER

  5. 5. Optical properties of point defects in insulators and of transition metal dichalcogenides

    Författare :Christopher Linderälv; Chalmers University of Technology; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; solid state lighting; color centers; transition metal dichalcogenides; moiré structures; excitons; monolayer alloys; wide band gap oxides; luminescence quenching; charge transition levels; oxygen vacancies;

    Sammanfattning : There is a need for new or modified materials, both to improve current devices and to create novel functionalities. Engineering materials to target specific functionalities requires a better understanding of how microscopic processes impact materials properties. LÄS MER