Universität zu Köln

Poelking, Carl, Tietze, Max, Elschner, Chris, Olthof, Selina ORCID: 0000-0002-8871-1549, Hertel, Dirk ORCID: 0000-0002-0421-9734, Baumeier, Bjoern, Wuerthner, Frank, Meerholz, Klaus ORCID: 0000-0001-7450-4672, Leo, Karl and Andrienko, Denis ORCID: 0000-0002-1541-1377 (2015). Impact of mesoscale order on open-circuit voltage in organic solar cells. Nat. Mater., 14 (4). S. 434 - 440. LONDON: NATURE PUBLISHING GROUP. ISSN 1476-4660

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Abstract

Structural order in organic solar cells is paramount: it reduces energetic disorder, boosts charge and exciton mobilities, and assists exciton splitting. Owing to spatial localization of electronic states, microscopic descriptions of photovoltaic processes tend to overlook the influence of structural features at the mesoscale. Long-range electrostatic interactions nevertheless probe this ordering, making local properties depend on the mesoscopic order. Using a technique developed to address spatially aperiodic excitations in thin films and in bulk, we show how inclusion of mesoscale order resolves the controversy between experimental and theoretical results for the energy-level profile and alignment in a variety of photovoltaic systems, with direct experimental validation. Optimal use of long-range ordering also rationalizes the acceptor-donor-acceptor paradigm for molecular design of donor dyes. We predict open-circuit voltages of planar heterojunction solar cells in excellent agreement with experimental data, based only on crystal structures and interfacial orientation.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Poelking, Carl UNSPECIFIED UNSPECIFIED UNSPECIFIED Tietze, Max UNSPECIFIED UNSPECIFIED UNSPECIFIED Elschner, Chris UNSPECIFIED UNSPECIFIED UNSPECIFIED Olthof, Selina UNSPECIFIED orcid.org/0000-0002-8871-1549 UNSPECIFIED Hertel, Dirk UNSPECIFIED orcid.org/0000-0002-0421-9734 UNSPECIFIED Baumeier, Bjoern UNSPECIFIED UNSPECIFIED UNSPECIFIED Wuerthner, Frank UNSPECIFIED UNSPECIFIED UNSPECIFIED Meerholz, Klaus UNSPECIFIED orcid.org/0000-0001-7450-4672 UNSPECIFIED Leo, Karl UNSPECIFIED UNSPECIFIED UNSPECIFIED Andrienko, Denis UNSPECIFIED orcid.org/0000-0002-1541-1377 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-409284
DOI:	10.1038/NMAT4167
Journal or Publication Title:	Nat. Mater.
Volume:	14
Number:	4
Page Range:	S. 434 - 440
Date:	2015
Publisher:	NATURE PUBLISHING GROUP
Place of Publication:	LONDON
ISSN:	1476-4660
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Physical Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language ELECTRONIC-STRUCTURE; PHOTOVOLTAIC CELLS; INTERFACES; HETEROJUNCTION; BULK; POLARIZABILITIES; SEMICONDUCTORS; DISSOCIATION; ORIENTATION; SIMULATION Multiple languages Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/40928