Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 30: Poster: Organic Electronics and Photovoltaics
CPP 30.24: Poster
Dienstag, 8. März 2016, 18:15–21:00, Poster B2
Charge transfer energies for organic donor acceptor pairs — Janna Elisabeth Rückert1,2, •Sebastian Schellhammer1,2,3, Gianaurelio Cuniberti1,2,3, and Frank Ortmann1,2 — 1Institute for Materials Science and Max Bergmann Center of Biomaterials, Technische Universität Dresden, 01062 Dresden, Germany — 2Dresden Center for Computational Materials Science, Technische Universität Dresden, 01062 Dresden, Germany — 3Center for Advancing Electronics Dresden, Technische Universität Dresden, 01062 Dresden, Germany
Organic solar cells depend heavily on the energetics close to the donor acceptor interface. We theoretically investigate the excitations of donor acceptor pairs based on C60 molecules and varying donor species. By means of time-dependent density functional theory simulations, we analyze the charge transfer energy and the absorption strength. We investigate the influence of the geometric configuration on the excitation energy and on the oscillator strength and find that the configuration of the molecular dimer has a strong impact on the absorption strength while the CT energy is weakly affected.