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Visar resultat 1 - 5 av 512 avhandlingar som matchar ovanstående sökkriterier.

  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

  2. 2. Synthesis of protic ionic liquids. Challenges and solutions for the synthesis of pure compounds

    Författare :Eduardo Maurina Morais; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Protic ionic liquids; Fuel cells; Synthesis; DFT;

    Sammanfattning : The urgent need to diversify our energy matrix is responsible for a renewed interest in fuel cell technology, which can use hydrogen gas, a renewable green fuel, as an energy source. This technology is currently a commercially available option, however, it still requires technological improvements before it can be widely used for different applications. LÄS MER

  3. 3. An Investigation of Mixed Cellulose Esters and Acyclic Polyacetates: Effects of Side-Chain Lengths and Degrees of Ring-Opening

    Författare :Robin Nilsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; water interactions; oxygen permeation; storage modulus; ring-opening; water sorption; cellulose esters; side-chains; acyclic cellulose acetate;

    Sammanfattning : Bio-based polymers produced from natural sources are gaining an increased interest as potential replacement for today’s conventional fossil-based plastic polymers. Their use is already wide in many large-scale industrial areas such as healthcare, personal care, and food. LÄS MER

  4. 4. Synthesis of Conjugated Polymers and Small Molecules for Organic Light-Emitting Devices and Photodetectors

    Författare :Petri Henrik Murto; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; solution processing; conjugated polymers; fluorescence; near-infrared; light-emitting electrochemical cell; organic photodetector; organic light-emitting diode;

    Sammanfattning : Production cost and environmental impact are the two major concerns that are related to the conventional optoelectronic devices. It is desirable for the modern semiconductors that they are free of toxic/costly metals, they can be processed with low-cost solution-based methods, and their optical, electronic, and mechanical properties can be easily tuned depending on the target application. LÄS MER

  5. 5. Innovative Electrolytes and Electrodes for Sodium-Ion Batteries

    Författare :Damien Monti; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; electrolytes; Sodium-ion batteries; ionic liquids; electrodes;

    Sammanfattning : Batteries are expected to be masterpieces for future large-scale energy storage, but the emergence of ecological and financial concerns has forced us to think about complementary battery technologies to the today outstanding lithium-ion batteries (LIBs). Therefore, the sodium-ion battery (SIB) is a concept worth studying - especially for large-scale applications due to the abundance of sodium as an element, the overall low cost anticipated, and the similarities with LiBs, which should ease a technology change. LÄS MER