Sökning: "Theoretical chemistry"
Visar resultat 21 - 25 av 628 avhandlingar innehållade orden Theoretical chemistry.
21. Low temperature CO oxidation over Pt/CeO2
Sammanfattning : The oxidation of CO to CO2 is a widely studied reaction not only for its practical applications but also for its apparent simplicity. CO oxidation is, in fact, often used as a model reaction for other oxidation reactions. LÄS MER
22. Unlocking the potential of a caged star: Thermoelectric quaternary clathrates
Sammanfattning : Heat losses are an inevitable consequence of any energy conversion process, dictated by the second law of thermodynamics. This not only leads to an eternal struggle, via the pursuit of maximal efficiency, it also undermines our efforts to solve the two issues that pose the most significant challenges to modern society: climate change and the worlds surging energy need. LÄS MER
23. Hydration of oxo anions : a combined computational and experimental structure and dynamics study in aqueous solutions
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
24. Kinetics of Nanoparticle Catalysis from First Principles
Sammanfattning : Modern society depends heavily on heterogeneous catalysis, which creates strong economical and environmental incentives to improve catalyst efficiency. Heterogeneous catalysts are often realized as metal nanoparticles (NPs) supported on oxide surfaces, and catalysts are traditionally developed by trial and error approaches. LÄS MER
25. Methane oxidation over palladium oxide: From electronic structure to catalytic conversion
Sammanfattning : .... LÄS MER
