Search for dissertations about: "Kersti Hermansson"
Showing result 1 - 5 of 12 swedish dissertations containing the words Kersti Hermansson.
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1. The electron distribution in the bound water molecule
Abstract : .... READ MORE
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2. Classical and Car-Parrinello Molecular Dynamics Simulations of Polyvalent Metal Ions in Water
Abstract : The aqueous solvation of metal ions is one of the long-standing and complex problems in chemistry, with implications for and applications in a broad range of biochemical and electrochemical systems, where water is the all-pervasive medium.This thesis describes computer simulations of Al3+(aq), Fe2+(aq), Fe3+(aq) and Cu2+(aq). READ MORE
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3. Oxygen Storage Chemistry of Nanoceria
Abstract : The versatile redox chemistry of ceria (CeO2) originates from its Ce4f electron, which plays the key role in changing the oxidation state of Ce between +IV and +III. Ceria is, among other things, a material that can act as a powerful oxygen buffer with a high oxygen storage capacity (OSC). READ MORE
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4. Dynamics in Ceria and Related Materials from Molecular Dynamics and Lattice Dynamics
Abstract : In discussions of heterogeneous catalysis and other surface-related phenomena, the dynamical properties of the catalytic material are often neglected, even at elevated temperatures. An example is the three-way catalyst (TWC), used for treatment of exhaust gases from combustion engines operating at several hundred degrees Celsius. READ MORE
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5. Chemistry and Physics of Cu and H2O on ZnO Surfaces : Electron Transfer, Surface Triangles, and Theory
Abstract : This thesis discusses the chemistry and physics of Cu and H2O on ZnO surfaces, based primarily on results from quantum chemical calculations. The underlying context is heterogeneous catalysis, where Cu/ZnO-mixtures are used in the industrial synthesis of methanol and in the water gas shift reaction. READ MORE