Dresden 2017 – wissenschaftliches Programm
CPP 33.3: Vortrag
Mittwoch, 22. März 2017, 10:00–10:15, POT 81
Dissipative Charge Transfer Dynamics at an Oligothiophene/ZnO Interface — •Thomas Plehn and Volkhard May — Institute of Physics, Humboldt University Berlin, Germany
A combined theoretical study of the entire "light to free charge carrier" kinetics on hybrid organic/inorganic interfaces describes a huge challenge, owing to the manifold of interdependent subprocesses. While studies of short time quantum dynamics demand for expensive methods including e.g. electron-phonon interaction, the long time scale kinetics, however, are very sensitive to a realistic size of the model systems. In order to meet both grades, we set up an open system dynamics study based on a stochastic Schrödinger equation method.
After an introducing overview of the organic/inorganic hybrid system under consideration we present the aspired excitation energy and charge transfer processes. The presentation gives insight into the combined coherent and dissipative kinetics in a huge organic oligothiophene cluster. An initial study has the focus on solely the organic part. Then we attend to the actual hybrid interface system by placing the molecular cluster on a ZnO surface. By means of an installed electronic excess charge distribution in the inorganic counterpart, the hole motion inside the cluster becomes subject to a realistic Coulomb attraction across the interface. In order to clarify the principles of the aspired electron-hole pair separation across such interfaces, it is fundamental to understand how the hole overcomes this existing barrier.