Sökning: "atomic reactivity"

Visar resultat 1 - 5 av 27 avhandlingar innehållade orden atomic reactivity.

  1. 1. Reactivity of Transition-Metal Compounds from Electronic Structure

    Författare :Aleksandra Vojvodic; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; magnetic edge states; electronic structure; density-functional theory; growth; surface states and resonances; nitrides; density of states; hydrodesulphurisation; sulphides; steam reforming; transition-metal carbides; Bronsted-Evans Polanyi relation; scaling relations; adsorption; descriptor; reactivity; catalysis;

    Sammanfattning : Transition-metal carbides (TMC's), nitrides, and sulfides belong to the class of materials known as transition-metal compounds (TMX's). Besides having intriguing properties, these materials are relevant for, e.g., growth and catalysis. LÄS MER

  3. 2. Understanding Atoms and Covalent Bonds. An exploration by Thomas-Fermi and one-electron theories

    Författare :William Eek; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum ergodicity; delocalization; covalent bonding; atomic reactivity; Thomas-Fermi theory;

    Sammanfattning : .... LÄS MER

  4. 3. Model-based Analysis and Design of Atomic Layer Deposition Processes

    Författare :Anders Holmqvist; Avdelningen för kemiteknik; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Atomic layer deposition; Heterogeneous reaction kinetics; Limit-cycle dynamics; Parameter estimation; Multi-objective optimization; Dynamic optimization; Scale-up analysis;

    Sammanfattning : Atomic layer deposition (ALD) is a thin-film manufacturing process in which the growth surface is exposed to non-overlapping alternating injections of gas-phase chemical precursor species separated by intermediate purge periods to prevent gas-phase reactions. ALD is characterized by sequential self-terminating heterogeneous reactions between highly reactive gas-phase precursor species and surface-bound species which, when allowed sufficient conditions to reach saturation, results in highly conformal films, on both planar and topographically complex structures. LÄS MER

  5. 4. Theoretical Investigations of Boron Related Materials Using DFT

    Författare :Igor Arvidsson; Karin Larsson; Jan-Otto Carlsson; Robert Jones; Uppsala universitet; []
    Nyckelord :Inorganic chemistry; boron nitride; density functional theory; chemical vapour deposition; atomic layer deposition; surface reactivity; adsorption; abstraction; computational chemistry; Oorganisk kemi;

    Sammanfattning : In the history of Chemistry, materials chemists have developed their ideas mainly by doing experiments in laboratories. The underlying motivation for this laboratory work has generally been pure curiosity or the ambition to find a solution to a specific problem. LÄS MER

  7. 5. Surface Reactivity and Electronic Structure of Metal Oxides

    Författare :Anneli Önsten; Ulf Karlsson; Anne Borg; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; oxides; surfaces; defects; cuprous oxide; zinc oxide; magnetite; water; OH; sulfur dioxide; photoelectron spectroscopy; scanning tunneling microscopy; Material physics with surface physics; Materialfysik med ytfysik;

    Sammanfattning : The foci of this thesis are the metal oxides Cu2O, ZnO and Fe3O4 and their interaction with water and sulfur dioxide (SO2). The intention is to study SO2-induced atmospheric corrosion on a molecular level. All studies are based on photoelectron spectroscopy (PES) and scanning tunneling microscopy (STM) measurements. LÄS MER