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Electronic Structure and Interface Properties of a Model Molecule for Organic Solar Cells
Author(s) -
Hintz Holger,
Peisert Heiko,
Aygül Umut,
Latteyer Florian,
Biswas Indro,
Nagel Peter,
Merz Michael,
Schuppler Stefan,
Breusov Dietrich,
Allard Sybille,
Scherf Ullrich,
Chassé Thomas
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900626
Subject(s) - x ray photoelectron spectroscopy , x ray absorption spectroscopy , electronic structure , photoemission spectroscopy , inverse photoemission spectroscopy , heterojunction , ultraviolet photoelectron spectroscopy , molecule , spectroscopy , chemistry , valence (chemistry) , ultraviolet , absorption spectroscopy , sulfur , materials science , angle resolved photoemission spectroscopy , optoelectronics , computational chemistry , physics , organic chemistry , nuclear magnetic resonance , optics , quantum mechanics
We study the electronic structure of 4,7‐bis(5‐methylthiophen‐2‐yl)benzo[c][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.