Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor "Wodtke, Alec M. Prof. Dr."
Now showing items 1-11 of 11
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Mechanistic Studies on flat and stepped Palladium Single Crystal Surfaces: Experimental Evidence of Reaction Intermediates for the Decomposition of Formic Acid and Oxidation of Ammonia
(2024-10-04)In this work, experimental and theoretical investigations of formic acid desorption, decomposition and ammonia oxidation on single crystal palladium surfaces are presented. The formic acid system is investigated using a ... -
Isomerization of CO on a NaCl(100) Surface: Evidence for Resonance Enhanced Quantum Tunneling in Condensed Phase
(2024-06-20)Carbon monoxide (CO) physisorbed on a NaCl(100) surface can undergo an isomerization reaction at cryogenic temperatures. In equilibrium conditions, the CO molecule absorbs on the surface with the C-atom closer to the Na+ ... -
Inelastic Hydrogen Atom Scattering from Semiconductor Surfaces
(2023-12-11)The adiabatic approximation is widely applied to describe interactions of atoms and molecules with solid surfaces. It assumes that the electronic system stays in the lowest-energy ground state during the interaction and ... -
Application of Laser Induced Desorption to study Velocity-Resolved Kinetics
(2023-05-04)In this work, I present a new method to measure velocity-resolved kinetics (VRK) of chemical reactions on surfaces. Ultra-fast laser-induced desorption (LID) is utilized as a tool to directly measure coverages of adsorbates. ... -
Computational Description of Chemical Bond Formation Using Neural-Network Potentials: H-Atom Scattering from Graphene
(2022-08-01)When a hydrogen or a deuterium atom is interacting with a graphene surface during scattering events, its energy loss determines if the projectile will be adsorbed or scattered. The energy loss highly depends on the initial ... -
On the dynamics of H atom scattering from metal surfaces
(2022-04-26)When a hydrogen atom collides with a surface it may either scatter or stick to the surface, depending on the energy loss the particle experiences during collision. It is established that non-adiabatic effects in form of ... -
Surface scattering dynamics of graphene and graphite
(2022-04-26)Since its first successful preparation in 2004, graphene has been extensively studied because of its outstanding mechanical, thermal and electronic properties. Graphene is an especially interesting material because of its ... -
Chirality Detection of Surface Desorption Products using Photoelectron Circular Dichroism
(2022-03-16)In this thesis, I demonstrate the combination of chirality detection via photoelectron circular dichroism with surface scattering experiments and present a novel molecular beam surface science apparatus, specially designed ... -
Probing Molecule-Surface Interactions through Thermal Desorption Rates
(2022-01-13)The accurate description of chemical reaction rates at surfaces is essential for the understanding of heterogeneous catalysis. As industrial catalysts are in general complex, fundamental understanding on how they work ... -
Ab initio molecular dynamics simulations of molecular scattering from metal(111) surfaces
(2021-08-26)In this thesis, I report on ab initio molecular dynamics (AIMD) simulations of scattering experiments of CO and NO from Au(111) and Ag(111) surfaces and provide minimum energy pathway (MEP) calculations of the dissociation ... -
Vibrational Energy Transfer Between CO Molecules on a NaCl(100) Surface Studied by Infrared Fluorescence Spectroscopy
(2021-04-19)The breaking of chemical bonds in surface reactions is inherently connected to highly excited molecular vibrations. Therefore, understanding the vibrational energy transfer dynamics of adsorbed molecules, which effectively ...