Sökning: "Quantum Chemistry"

Visar resultat 16 - 20 av 361 avhandlingar innehållade orden Quantum Chemistry.

1. 16. Nanostructured ZnO and metal chalcogenide films for solar photocatalysis

   Författare :Taha Ahmed; Tomas Edvinsson; Jiefang Zhu; Mats Johnsson; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; photocatalysis; zinc oxide; quantum dots; nanorods; quantum confinement; low-dimensional; cathodic electrodeposition; Raman spectroscopy; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

   Sammanfattning : 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. LÄS MER

3. 17. Hydration of oxo anions : a combined computational and experimental structure and dynamics study in aqueous solutions

   Författare :Lars Eklund; Sveriges lantbruksuniversitet; Sveriges lantbruksuniversitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : 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. LÄS MER

4. 18. Synthesis and Photophysical Characterization of Annihilator-Sensitizer Pairs for Triplet-Triplet Annihilation Based Photon Upconversion

   Författare :Victor Gray; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Triplet-Triplet Annihilation; Photon Upconversion; Anthracene;

   Sammanfattning : 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. LÄS MER

5. 19. Quantum dynamical effects in complex chemical systems

   Författare :S. Karl-Mikael Svensson; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Quantum dynamics; Radiative association; Classical Wigner method; Feynman path integral; Reaction rate constants; Wigner phase space;

   Sammanfattning : 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. LÄS MER

7. 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

   Författare :Henrik Pedersen; Per-Olov Käll; Lars-Johan Norrby; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; Oorganisk kemi; Physical chemistry; Fysikalisk kemi;

   Sammanfattning : 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. LÄS MER