Search for dissertations about: "quantum chemistry"
Showing result 16 - 20 of 360 swedish dissertations containing the words quantum chemistry.
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16. Nanostructured ZnO and metal chalcogenide films for solar photocatalysis
Abstract : The increasing demand for clean energy and safe water resources has driven the development of efficient and sustainable technologies. Among these technologies, photocatalysis using semiconducting materials has emerged as a promising solution for both solar hydrogen generation and water purification. READ MORE
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17. Hydration of oxo anions : a combined computational and experimental structure and dynamics study in aqueous solutions
Abstract : The structure and dynamics of several hydrated oxo anions were studied using multiple methodologies. Aqueous solutions of sulfate, sulfite, thiosulfate, peroxysulfate, selenite, selenate, hypochlorite, chlorite, chlorate, perchlorate, bromate, iodate and periodate salts were studied using large angle X-ray scattering (LAXS) and extended X-ray absorption fine structure (EXAFS) spectroscopy. READ MORE
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18. Synthesis and Photophysical Characterization of Annihilator-Sensitizer Pairs for Triplet-Triplet Annihilation Based Photon Upconversion
Abstract : Transitioning to a future society, independent of fossil fuels, will denitely require the use of solar radiation for power and fuel production. Due to energy mismatch betweendevice absorption and the broad band irradiation provided by the sun there are severe limitations to how efficient devices for direct conversion of solar radiation can be. READ MORE
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19. Quantum dynamical effects in complex chemical systems
Abstract : When using mathematical models to computationally investigate a chemical system it is important that the methods used are accurate enough to account for the relevant properties of the system and at the same time simple enough to be computationally affordable. This thesis presents research that so far has resulted in three published papers and one unpublished manuscript. READ MORE
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20. Experimental and quantum-chemical studies of the surface interactions between organic molecules and nanocrystals of (a) RE2O3 (RE = Y or Gd); and (b) TiOb2
Abstract : The increasing interest for using nanocrystals in bio-medical and optical applications has highlighted the need of molecular functionalisation of nanocrystals. Knowledge of how to attach molecules to the nanocrystal surface is a key factor. READ MORE