Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 43: Poster Tuesday: Electronic Structure

O 43.5: Poster

Dienstag, 2. April 2019, 18:00–20:00, Poster D

Spectroscopic signatures of single molecules and their aggregates in the presence of a dielectric surface — •Meral Ari, Oliver Stauffert, and Michael Walter — Institute of Physics, University of Freiburg, Freiburg, Germany

Polycyclic aromatic hydrocarbons promise to be attractive candidates for materials to build the next generation of optoelectronic devices. In order to be able to utilize them at maximum yield, understanding their electronic structure and optical properties is essential. Hereby we are especially interested in acenes. We describe their electronic structures with density functional theory (DFT) and excited state properties with time-dependent density functional theory (TDDFT). Experimentally observed spectroscopic shifts are determined from the effect of the permittivity of the neon surface in a joined effort with the macroscopic QED group of S. Buhmann. The dielectric constant of the neon surface is calculated by using different ab-initio methods and their effects are compared.