The rational and effective design of nonfullerene acceptors guided by a semi-empirical model for an organic solar cell with an efficiency over 15

Although much progress has been made in the field of organic photovoltaics (OPVs), the design of active layer materials is generally based on a trial-and-error approach. It is still a challenge to rationally design active layer materials to further improve OPV performance. Herein, guided by a semi-e...

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Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2020-05, Vol.8 (19), p.9726-9732
Main Authors: Ke, Xin, Meng, Lingxian, Wan, Xiangjian, Li, Mingpeng, Sun, Yanna, Guo, Ziqi, Wu, Simin, Zhang, Hongtao, Li, Chenxi, Chen, Yongsheng
Format: Article
Language:English
Subjects:
Absorption
Design
Optimization
Photovoltaic cells
Photovoltaics
Polymers
Solar cells
Viscosity
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Summary:Although much progress has been made in the field of organic photovoltaics (OPVs), the design of active layer materials is generally based on a trial-and-error approach. It is still a challenge to rationally design active layer materials to further improve OPV performance. Herein, guided by a semi-empirical model that we have proposed, two new small-molecule acceptors, named F-2F and FO-2F, were designed and synthesized based on the acceptor F-H. F-2F, having a difluoro-substituted end group, showed absorption red-shifted relative to that of F-H, but still far from the range required in the semi-empirical model. Thus, we performed subtle molecular optimization by inserting an oxygen atom into the backbone of F-2F to design FO-2F, which exhibited much greater red-shifted absorption, close to the preferred absorption range of the semi-empirical model. When blended with the donor polymer PM6, an OPV device based on FO-2F achieved an impressive PCE of 15.05% with a V oc of 0.878 V, a J sc of 22.26 mA cm −2 and a notable FF of 0.77. Both the V oc and J sc values were within the predicted range of the model. These results showed the FO-2F molecule to be a new example of an acceptor yielding a PCE greater than 15%, an achievement previously restricted nearly entirely to the Y6 series. Guided by a semi-empirical model, two small-molecule acceptors were rationally designed and an impressive PCE of 15.05% was achieved.
ISSN:2050-7488
2050-7496
DOI:10.1039/d0ta03087b