Sökning: "chemical attachment"

Visar resultat 1 - 5 av 103 avhandlingar innehållade orden chemical attachment.

  1. 1. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

    Författare :Joakim Halldin Stenlid; Tore Brinck; Thomas Bligaard; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

    Sammanfattning : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. LÄS MER

  3. 2. Lignin- and PAN-based carbon fibres as negative electrodes for alkali-ion batteries

    Författare :Kevin Peuvot; Göran Lindbergh; Dan Zenkert; Enn Lust; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; hard carbon; lithium-ion batteries; sodium-ion batteries; potassium-ion batteries; lignin-based carbon fibres; PAN-based carbon fibres; free-standing electrodes; Chemical Engineering; Kemiteknik;

    Sammanfattning : The development of sodium-ion batteries (SIBs) and potassium-ion batteries (KIBs) have accelerated since they can now reach similar gravimetric energy densities as lithium-ion batteries (LIBs) but with a lower environmental impact. Hard carbon is the most common negative electrode for SIBs and KIBs and can be made from renewable resources such as lignin. LÄS MER

  4. 3. Crystal Polymorphism of Substituted Monocyclic Aromatics

    Författare :Michael Svärd; Åke C Rasmuson; Per Svensson; Tore Brínck; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Crystallization; polymorphism; thermodynamics; kinetics; solubility; nucleation; crystal structure prediction; lattice energy; enthalpy; entropy; molecular mechanics; quantum mechanics; electrostatic potential; force field; Chemical engineering; Kemiteknik;

    Sammanfattning : .... LÄS MER

  5. 4. Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds

    Författare :Michael Svärd; Åke Rasmuson; Hugo Meekes; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Polymorphism; crystallization; thermodynamics; kinetics; nucleation; crystallography; solubility; phase equilibria; polymorphic transformation; solution history; metastable zone; classical theory of nucleation; two-step theory of nucleation; cluster; crystal structure prediction; lattice energy; molecular mechanics; force field; electrostatic potential; potential energy hypersurface; m-aminobenzoic acid; m-hydroxybenzoic acid; Chemical engineering; Kemiteknik;

    Sammanfattning : This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. LÄS MER

  7. 5. Morphological investigation of metal ions in spruce wood

    Författare :Annica Berglund; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; microprobe; metal ions; calcium; chemical attachment; manganese; spruce wood; elution; iron; x-ray flourescence; spatial distribution; morphological distribution;

    Sammanfattning : .... LÄS MER