Electronic Structure and Interface Properties of a Model Molecule for Organic Solar Cells |
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| Authors: | Holger Hintz Heiko Peisert Dr Umut Aygül Florian Latteyer Indro Biswas Peter Nagel Dr Michael Merz Dr Stefan Schuppler Dr Dietrich Breusov Sybille Allard Dr Ullrich Scherf Prof Thomas Chassé Prof |
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| Institution: | 1. Institute of Physical and Theoretical Chemistry, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen (Germany);2. Forschungszentrum Karlsruhe, Institut für Festk?rperphysik (IFP), 76021 Karlsruhe (Germany);3. FB C—Makromolekulare Chemie und Institut für Polymertechnologie, Bergische Universit?t Wuppertal, Gaussstrasse 20, 42119 Wuppertal (Germany) |
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| Abstract: | We study the electronic structure of 4,7‐bis(5‐methylthiophen‐2‐yl)benzoc]1,2,5]thiadiazole (MTBT) and its interface properties with gold using X‐ray photoemission spectroscopy (XPS), valence‐band ultraviolet photoemission spectroscopy (UPS), X‐ray absorption spectroscopy (XAS), as well as resonant photoemission (ResPES). MTBT can be regarded as a model molecule for PCPDTBT, a promising candidate for efficient bulk heterojunction solar cells. Almost no contribution of sulfur and only a weak contribution of nitrogen to the HOMO level is found. At the interface with gold, a strong chemical interaction between the sulfur of the benzothiadiazole and gold occurs, which may have consequences for interface properties in devices. |
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| Keywords: | density functional calculations electronic structure gold interface properties organic solar cells |
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