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Showing result 1 - 5 of 7 swedish dissertations matching the above criteria.

  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. Efficient Optimization of Complex Products : A Simulation and Surrogate Model Based Approach

    Author : Johan Persson; Johan Ölvander; Petter Krus; Hirpa G. Lemu; Linköpings universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Abstract : This thesis investigates how to use optimization efficiently when complex products are developed. Modelling and simulation are necessary to enable optimization of products, but here it is assumed that verified and validated models of the products and their subsystems are available for the optimization. READ MORE

  5. 3. Quantum Chemical Modeling of Dye-Sensitized Titanium Dioxide : Ruthenium Polypyridyl and Perylene Dyes, TiO2 Nanoparticles, and Their Interfaces

    Author : Maria J. Lundqvist; Sten Lunell; Petter Persson; Lars Ojamäe; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; density functional theory; chromophore; nanocrystal; interface; photoexcitation; triplet state; surface electron transfer; electronic coupling strength; Kvantkemi; Quantum chemistry; Kvantkemi;

    Abstract : Quantum chemical calculations have been used to model dye-sensitized nanostructured titanium dioxide systems that can be used in solar cells for solar energy to electricity conversion. Structural, electronic and spectral properties of isolated dyes and both bare and dye-sensitized TiO2 have been calculated with density functional theory, providing detailed information about both the separate parts and the dye-TiO2 interface. READ MORE

  6. 4. Computational Investigation of Dye-Sensitized Solar Cells

    Author : Mattias Nilsing; Sten Lunell; Lars Ojamäe; Petter Persson; Sven Stafström; Uppsala universitet; []
    Keywords : Quantum chemistry; titanium dioxide; anatase; rutile; pyridine; perylene; nanostructured; interface; electronic coupling; electron injection; quantum chemistry; phosphonic acid; Kvantkemi;

    Abstract : Interfaces between semiconductors and adsorbed molecules form a central area of research in surface science, occurring in many different contexts. One such application is the so-called Dye-Sensitized Solar Cell (DSSC) where the nanostructured dye-semiconductor interface is of special interest, as this is where the most important ultrafast electron transfer process takes place. READ MORE

  7. 5. On the modular modelling for dynamical simulation with application to fluid systems

    Author : Carl-Johan Sjöstedt; Jan-Gunnar Persson; Petter Krus; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Computer science; Datavetenskap;

    Abstract : This licentiate thesis highlights some topics on modular modelling for dynamical simulation with application to fluid systems. The results are based on experience from the development of the fuel cell component simulation environment NFCCPP. The general application is cross-enterprise simulation of technical systems. READ MORE