Quantitative relations between interaction parameter, miscibility and function in organic solar cells

Quantitative relations between interaction parameter, miscibility and function in organic solar... Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction–function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous–amorphous interaction parameter, χ aa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative ‘constant-kink-saturation’ relation between χ aa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χ aa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Nature Materials Springer Journals

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Publisher
Springer Journals
Copyright
Copyright © 2018 by The Author(s)
Subject
Materials Science; Materials Science, general; Optical and Electronic Materials; Biomaterials; Nanotechnology; Condensed Matter Physics
ISSN
1476-1122
eISSN
1476-4660
D.O.I.
10.1038/s41563-017-0005-1
Publisher site
See Article on Publisher Site

Abstract

Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction–function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous–amorphous interaction parameter, χ aa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative ‘constant-kink-saturation’ relation between χ aa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χ aa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.

Journal

Nature MaterialsSpringer Journals

Published: Feb 5, 2018

References

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