Search for dissertations about: "Chemistry with specialization in Quantum Chemistry"
Showing result 11 - 15 of 22 swedish dissertations containing the words Chemistry with specialization in Quantum Chemistry.
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11. 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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12. Interfaces in Dye-Sensitized Solar Cells Studied with Photoelectron Spectroscopy at Elevated Pressures
Abstract : With an increasing demand for renewable energy sources, research efforts on different solar cell technologies are increasing rapidly. The dye-sensitized solar cell (DSC) is one such technology, taking advantage of light absorption in dye molecules. READ MORE
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13. Excited State Aromaticity and Antiaromaticity : Fundamental Studies and Applications
Abstract : The central theme of this thesis is the ability to tune various molecular properties by controlling and utilizing aromaticity and antiaromaticity in the lowest electronically excited states. This investigation is based on qualitative theory, quantum chemical (QC) calculations and experimental work. READ MORE
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14. Quantum Chemical Studies of Diamond for Energy Related Applications
Abstract : Diamond is a unique material with excellent properties. As a result of the development within the area of CVD synthesis, doping and surface functionalization, diamond has become a strong candidate for use in electrochemical, electronic and biomedical applications. READ MORE
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15. Surface and Interface Studies of ZnO using Reactive Dynamics Simulation
Abstract : About 90% of all chemicals are produced with the help of catalysts, substances with the ability to accelerate reactions without being consumed. Metal oxides play a prominent role in catalysis, since they are able to act reversibly in many chemical processes. Zink oxide (ZnO) is used to catalyse a number of industrially important reactions. READ MORE