Sökning: "Local: chemistry"
Visar resultat 1 - 5 av 275 avhandlingar innehållade orden Local: chemistry.
1. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion
Sammanfattning : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. LÄS MER
2. Theoretical Studies of Natural Gas Hydrates and H-bonded Clusters and Crystals
Sammanfattning : In this thesis H-bonded systems (natural gas hydrates, water clusters, and crystal ice) are studied by density functional theory (DFT) computations.Natural gas hydrates (NGHs) play an important role in energy and environmental fields: NGHs are considered as a promising backup energy resource in the near-future due to their tremendous carbon content; improper exploration of NGHs could induce geological disasters and aggravate the greenhouse effect. LÄS MER
3. Functional Binders at the Interface of Negative and Positive Electrodes in Lithium Batteries
Sammanfattning : In this thesis, electrode binders as vital components in the fabrication of composite electrodes for lithium-ion (LIB) and lithium-sulfur batteries (LiSB) have been investigated.Poly(vinylidene difluoride) (PVdF) was studied as binder for sulfur-carbon positive electrodes by a combination of galvanostatic cycling and nitrogen absorption. LÄS MER
4. Local structure and dynamics in proton conducting perovskite oxides: insights from quasielastic neutron scattering and infrared spectroscopy
Sammanfattning : Proton conducting oxides have been extensively studied in the past decade due to their potential application in a number of energy related devices such as solid oxide fuel cells, hydrogen sensors, and steam electrolyzers. However, the final industrialisation of these materials depends on unlocking fundamental questions about the relationship between their atomic structure, localized proton dynamics and proton conductivity. LÄS MER
5. NH3-SCR chemistry for NOx abatement: Influence of zeolite support on N2O formation & phosphorus species addition
Sammanfattning : Different lattice arrangements of Si, Al, and O atoms result in a variety of pore dimensions and zeolite channel network systems, giving rise to different physicochemical environments inside the catalyst cage. The objective of the thesis work was to understand the influence of zeolite topology on NH3-assisted SCR chemistry over CHA, MFI, and BEA frameworks, on the formation of N2O and the addition of phosphorus species to attain fundamental insight into NOx emission control. LÄS MER
