Quantum chemical investigations on adsorption processes at oxide surfaces
Abstract:
The adsorption of small molecules on oxide surfaces plays an important role in understanding catalytic reactions on the surfaces. This thesis discusses several adsorption processes on oxide surfaces by both periodic method with plane waves and embedded cluster method. We focused on adsorption geometries, adsorption energies and vibrational frequencies, in combine with experiments.
| Zugehörige Institution(en) am KIT | Institut für Physikalische Chemie (IPC) |
| Publikationstyp | Hochschulschrift |
| Publikationsjahr | 2015 |
| Sprache | Englisch |
| Identifikator | urn:nbn:de:swb:90-500661 KITopen-ID: 1000050066 |
| Verlag | Karlsruher Institut für Technologie (KIT) |
| Art der Arbeit | Dissertation |
| Fakultät | Fakultät für Chemie und Biowissenschaften (CHEM-BIO) |
| Institut | Institut für Physikalische Chemie (IPC) |
| Prüfungsdaten | 23.10.2015 |
| Schlagwörter | Adsorption, oxide surface, periodic calculation, embeded cluster |
| Referent/Betreuer | Fink, K. |