Sökning: "Laurent Duda"
Visar resultat 1 - 5 av 10 avhandlingar innehållade orden Laurent Duda.
Sammanfattning : .... LÄS MER
2. Ab initio simulations of vibrational and electronic structure evaluated against K-edge resonant inelastic X-ray scattering
Sammanfattning : The work of this thesis is focused on investigation of electronic and molecular structure and dynamics a molecular species in solutions and minerals in relation to resonant inelastic X-ray scattering (RIXS). The studies have been carried out by means of quantum chemistry calculations using density functional theory (DFT) and multi-configurational methods and quantum dynamics simulations using wave packet dynamics and ab initio molecular dynamics. LÄS MER
Sammanfattning : This thesis concerns the application of various soft x-ray spectroscopic methods (soft x-ray absorption, SXA, and emission, SXE) to complex, non-vacuum compatible systems, including liquids and multi-phase systems. The design, construction, and application of new instrumentation for in situ spectroscopy is described in detail. LÄS MER
Sammanfattning : The topic of this thesis is redox reactions in two technologically important contexts: firstly, in Li-ion battery electrodes during cycling, and secondly, in copper corrosion in oxygen-free ground water containing sulfide. In an attempt to expand the understanding of the charge uptake process in battery electrodes and the chemical reactions on copper surfaces upon sulfide exposure, soft X-ray spectroscopy has been used to study the electronic structure of these systems. LÄS MER
5. In situ X-Ray Spectroscopy of Ethylene Epoxidation over Ag and studies of Li-ion batteries and Cu sulfidation
Sammanfattning : This thesis is based on experiments applying synchrotron based X-ray Absorption Spectroscopy(XAS) and Resonant Inelastic X-ray Scattering (RIXS) in the soft X-ray region to energy related systems. The main work of this thesis has been to develop a reaction cell that allowed for in situ XAS and RIXS investigations of the partial epoxidation of ethylene over a Ag catalyst at 1 atm and up to 250C. LÄS MER