Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 86: Poster Session - Organic Molecules on Inorganic Substrates: Electronic, Optical and other Properties II
O 86.5: Poster
Wednesday, March 18, 2020, 18:15–20:00, P2/EG
Electronic properties of N-substituted pentacene derivatives on Au(111) — •Tanja Schmitt1, Jakob Steidel1, Marvin Hoffmann2, Hilmar Reiss3, Uwe Bunz3, Andreas Dreuw2, and Petra Tegeder1 — 1Physikalisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg — 2Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg — 3Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg
N-heteropolycyclic aromatic compounds are promising candidates for n-channel semiconductors. The introduction of nitrogen into the π-electron-backbone of the polycyclic aromatic hydrocarbons stabilizes the frontier orbitals and increases the electron affinity, while the size of the HOMO-LUMO (optical) gap is nearly uneffected.
Thus, the electronic properties of N-functionalised pentacene derivatives were studied using two-photon photoemission (2PPE). With this powerful technique, the energetic positions of occupied, unoccupied and excitonic states were determined. In addition, the dynamics upon optical excitation can be investigated on a femtosecond time scale. Also, angle-resolved 2PPE can be performed in order to study the dispersion of present states.
Crucial properties such as optical and transport gap as well as binding energy was determined and compared to non-substituted pentacene using 2PPE. In addition, state-of-the-art quantum chemical theory was carried out.