A5017620039- Advanced Chemical Physics Studies
- Quantum, superfluid, helium dynamics
- Astrophysics and Star Formation Studies
- Graphene research and applications
- Fiber-reinforced polymer composites
Aarhus University
2016-2019
Superhydrogenated polycyclic aromatic hydrocarbon (PAH) molecules have been demonstrated to act as catalysts for molecular hydrogen formation under interstellar conditions. Here we present combined thermal desorption mass spectrometry measurements and density functional theory calculations that reveal the most stable configurations in superhydrogenation sequence of PAH molecule coronene (C24H12). Specifically, experiments demonstrate presence superhydrogenated at specific hydrogenation...
The changes in the strength of interaction between polycyclic aromatic hydrocarbon, coronene, and graphite as a function degree super-hydrogenation coronene molecule are investigated using temperature programmed desorption. A decrease binding energy is observed for increasing degrees super-hydrogenation, from 1.78 eV with no additional hydrogenation to 1.43 fully super-hydrogenated molecule. Density functional theory calculations optB88-vdW suggest that mostly due an increased buckling...
Abstract Experimental data showing superhydrogenation of neutral polycyclic aromatic hydrocarbons (PAHs) coronene, pentacene and pentacenequinone is presented. PAH monolayers were prepared on a highly oriented pyrolytic graphite surface subsequently exposed to beam atomic hydrogen. The superhydrogenated species examined via temperature programmed desorption measurements. Stable intermediate degrees as well fully are observed the initial reaction cross section for coronene has been determined.