Dresden 2014 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 19: Poster Session 1 (joint session with BP)
CPP 19.56: Poster
Tuesday, April 1, 2014, 09:30–13:00, P1
Polarity Effects in Organic Solar Cells: The Importance of Being Long-Range — •Carl Poelking1, Max Tietze2, Chris Elschner2, Karl Leo2, Björn Baumeier1, and Denis Andrienko1 — 1Max Planck Institute for Polymer Research, 55128 Mainz, Germany — 2Institute for Applied Photophysics, 01062 Dresden, Germany
We highlight the staggering importance of long-range interactions in predicting energy levels in organic semiconductors. Our simulation method addresses selectively charged, polarizable systems with broken 2D periodicity. We show that the resulting polarity effects are strong enough to easily reverse the role of donor and acceptor in organic solar cells as conditioned by gas-phase energy levels. Comparing atomistic simulations to experiments, we address implications for the empirical link between molecular energy levels and open-circuit voltage and account for why the acceptor-donor-acceptor architecture is particulary suited for solar-cell applications.