Search for dissertations about: "OXIDE SURFACES"

Showing result 31 - 35 of 248 swedish dissertations containing the words OXIDE SURFACES.

  2. 31. Efficient Density-Functional-Based Calculational Methods for Surfaces

    Author : Lennart Bengtsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; potential energy surfaces; pseudopotentials; surface physics; density functional theory; optimization techniques; computer simulations;

    Abstract : During the last decades, computer simulations have become an important tool for the study of elementary surface processes, such as atomic and molecular adsorption, diffusion of ad-atoms and surface recombination. The knowledge gained by such studies can be used to understand and develop technologically important processes such as catalysis and crystal growth. READ MORE

  4. 32. Methane oxidation over palladium oxide. From electronic structure to catalytic conversion

    Author : Maxime van den Bossche; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; core-level spectroscopy; heterogeneous catalysis; PdO 101 ; palladium oxide; methane oxidation; microkinetic modelling; density functional theory;

    Abstract : Understanding how catalysts work down to the atomic level can provide ways to improve chemical processes on which our contemporary economy is heavily reliant. The oxidation of methane is one such example, which is important from an environmental point of view. READ MORE

  5. 33. Poly(ethylene-graft-ethylene oxide) Preparation and Properties in Polymer Blends

    Author : Åsa Halldén; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Surface modification; Graft copolymers; Polymer blends; Polyethylene; Polyethylene oxide; Polyamide; Polymer technology; biopolymers; Polymerteknik;

    Abstract : This thesis describes the preparation, characterisation and properties of poly(ethylene-graft-ethylene oxide) (PE-PEO). The grafting reaction was carried out with the grafting onto method using the carboxylic acid groups of poly(ethylene-co-acrylic acid) (PEAA) as reactive sites in an esterification reaction with poly(ethylene oxide) mono-methyl ethers (MPEO) of varying molecular weights: 750, 2000 and 5000. READ MORE

  6. 34. Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces

    Author : Marta Galynska; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; cluster models; TiO2 nanoparticles; anatase; rutile; brookite; group-IV oxides; DFT;

    Abstract : Titanium dioxide and related oxide materials have been investigated using density functional theory calculations. Nanocrystalline particles were modelled by a finite cluster approach. READ MORE

  7. 35. Adsorption of molecular thin films on metal and metal oxide surfaces

    Author : Zahra Besharat; Mats Göthelid; Mark Rutland; Magnus Johnson; W. Gregory Sawyer; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Self assembled monolayer SAM ; dye synthesis solar cell DSSC ; thiol; selenol; Cu2O 100 ; Cu2O 111 and dehydrogenation; Fysik; Physics; Teknisk materialvetenskap; Materials Science and Engineering;

    Abstract : Metal and metal oxides are widely used in industry, and to optimize their performance their surfaces are commonly functionalized by the formation of thin films. Self-assembled monolayers (SAMs) are deposited on metals or metal oxides either from solution or by gas deposition. READ MORE