Sökning: "Hans Ågren"
Visar resultat 16 - 20 av 46 avhandlingar innehållade orden Hans Ågren.
16. Engineering Multicomponent Nanostructures for MOSFET, Photonic Detector and Hybrid Solar Cell Applications
Sammanfattning : Silicon technologyhas been seekingfor a monolithic solution for a chip where data processing and data communication is performed in the CMOS part and the photonic component, respectively. Traditionally, silicon has been widely considered for electronic applications but not for photonic applications due to its indirect bandgap nature. LÄS MER
17. Electronic characterization of molecules with application to organic light emitting diodes
Sammanfattning : The presented thesis is devoted to the field of organic light emittingdiodes (OLEDs). Time-dependent Kohn-Sham density functional theory(TDDFT) is applied in order to eludicate optical properties such as fluorescence andphosphorescence for some of the most important materials. LÄS MER
18. Applications of Molecular Dynamics in Atmospheric and Solution Chemistry
Sammanfattning : This thesis focuses on the applications of molecular dynamics simulation techniques in the fields of solution chemistry and atmospheric chemistry. The work behind the thesis takes account of the fast development of computer hardware, which has made computationally intensive simulations become more and more popular in disciplines like pharmacy, biology and materials science. LÄS MER
19. Studies of optical properties of lanthanide upconversion nanoparticles for emerging applications
Sammanfattning : YTTERBY, a small village very close to Stockholm where I live, is the place in the world which has lent its name to the largest number of elements in the periodic table, namely four - YTTRIUM, YTTERBIUM, ERBIUM and TERBIUM. Three more lanthanide elements were discovered from the now empty quarry located in this village. LÄS MER
20. Quantum and quantum-classical calculations of core-ionized molecules in varied environments
Sammanfattning : Computational quantum chemistry methods have been applied in two particular cases: to provide insight to photoionization induced fragmentation of HgBr2 and HgCl2 molecules, and to study core-electron binding energies and chemical shifts of molecules in liquid, surface adsorbed and polymeric environments in the framework of quantum mechanics/molecular mechanics (QM/MM). In the photodissociation studies the computational work is based on the relativistic Dirac equation as the systems present strong spin-orbit interaction affecting the fragmentation processes. LÄS MER
