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Impact of mesoscale order on open-circuit voltage in organic solar cells

Impact of mesoscale order on open-circuit voltage in organic solar cells 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Nature Materials Springer Journals

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References (50)

Publisher
Springer Journals
Copyright
Copyright © 2014 by Nature Publishing Group
Subject
Materials Science; Materials Science, general; Optical and Electronic Materials; Biomaterials; Nanotechnology; Condensed Matter Physics
ISSN
1476-1122
eISSN
1476-4660
DOI
10.1038/nmat4167
Publisher site
See Article on Publisher Site

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.

Journal

Nature MaterialsSpringer Journals

Published: Dec 22, 2014

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