Search for dissertations about: "quantum transition"

Showing result 1 - 5 of 242 swedish dissertations containing the words quantum transition.

  2. 1. Quantum photoelectrochemistry : Theoretical studies of organic adsorbates on metal oxides surfaces

    Author : Petter Persson; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Quantum chemistry; photoelectrochemistry; metal oxide surfaces; organic adsorbates; Kvantkemi; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

    Abstract : Interactions between organic molecules and transition metal oxide surfaces have been investigated by means of quantum chemical calculations. The studies have been aimed at understanding electrode-adsorbate interactions in photoelectrochemical devices, such as dye-sensitized solar cells. READ MORE

  4. 2. Theory of Hydrogen Quantum Diffusion

    Author : Thomas Mattsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; path-integrals; isotope effect; transition state theory; quantum; diffusion; hydrogen; first-principles calculations; nickel;

    Abstract : Atomic hydrogen adsorbed on a metal surface is one of the simplest possible examples of chemisorption, yet it is very challenging. The adsorption and the very elementary process of surface diffusion, a single atomic jump, have been investigated theoretically using several methods. READ MORE

  5. 3. Quantum-confined stark effect in different quantum well structures

    Author : Weiquan Chen; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; stark effect; intersubband transition; photoluminescence; interband transitions; modulators; nonparabolicity; exciton; quantum well; oscillator strength; SEED and photodetectors;

    Abstract : .... READ MORE

  6. 4. Modeling Photofunctional Transition Metal Complexes

    Author : Iria Bolano Losada; NanoLund: Centre for Nanoscience; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; density functional theory; earth-abundant; molecular dynamics; quantum chemistry; photosensitizer; photophysics; photochemistry; solar fuels; solar energy conversion; transition metal complexes;

    Abstract : Transition metal complexes play a crucial role in solar energy conversion. These coordination compounds have promising applications in dye-sensitized solar cells and photocatalysis, with particular interest in solar fuel production. READ MORE

  7. 5. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

    Author : Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Abstract : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. READ MORE