Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 13, Issue 21, Pages 25214-25223Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.1c06299
Keywords
polymer solar cells; nonfused-ring electron acceptors; noncovalent bond interaction; structural isomerization; molecular packing
Funding
- National Natural Science Foundation of China (NSFC) [21825502, 22075190, 21905185]
- Special funds for local science and technology development guided by the central government [2020ZYD004]
- Foundation of State Key Laboratory of Polymer Materials Engineering [SKLPME 2017-2-04]
- Fundamental Research Funds for the Central Universities [YJ201957]
- U.S. DOE Office of Science Facility, at Brookhaven National Laboratory [DE-SC0012704]
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Two novel nonfused-ring electron acceptors (N-FREAs), DTP-out-F and DTP-in-F, containing a 2,5-difluorophenylene core with DTP blocks and IC-2F terminals, were designed and synthesized. The isomerization of DTP to 2,5-difluorophenylene affected the overall properties of the N-FREAs, leading to improved power conversion efficiency. The isomerization strategy shows great potential in developing high-performance N-FREAs.
Two novel nonfused-ring electron acceptors (N-FREAs) namely DTP-out-F and DTP-in-F, containing 2,5-difluorophenylene central core flanked with DTP blocks and end-capped with IC-2F terminals were designed and synthesized. The C-H center dot center dot center dot F noncovalent interactions between F atom of 2,5-difluorophenylene and H-3 and H-6 from DTP moiety (for DTP-in-F and DTP-out-F, respectively) locked the molecular conformation within a planar geometry. Benefiting from asymmetric nature of DTP block, the two different connection positions (2- or 7-position) of DTP to 2,5-difluorophenylene afforded the structural isomers of DTP-in-F and DTP-out-F, which affected the overall properties of these N-FREAs, especially the molecular packing behaviors. The more preferred J-aggregation and face-on packing of DTP-in-F shifted the absorption to slightly longer wavelength and provided a polymer-like extended crystal transport channels for improving the charge transport. Therefore, the power conversion efficiency (PCE) was significantly improved from 3.97% of DTP-out-F-based devices to 10.66% of DTP-in-F-based devices. These results reveal the great potential of isomerization strategy to develop high-performance N-FREAs.
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