4.6 Article

Alkoxy substitution on IDT-Series and Y-Series non-fullerene acceptors yielding highly efficient organic solar cells

Journal

JOURNAL OF MATERIALS CHEMISTRY A
Volume 9, Issue 12, Pages 7481-7490

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d0ta10953c

Keywords

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Funding

  1. National Natural Science Foundation of China (NSFC) [21875286]
  2. National Key Research & Development Projects of China [2017YFA0206600]
  3. MOST [2019YFA0705900]
  4. Shen Zhen Technology and Innovation Commission [JCYJ20170413173814007, JCYJ20170818113905024]
  5. Basic and Applied Basic Research Major Program of Guangdong Province [2019B030302007]
  6. Hong Kong Research Grants Council [R6021-18, 16305915, 16322416, 606012, 16303917]
  7. Hong Kong Innovation and Technology Commission [ITC-CNERC14SC01, ITS/471/18Y]

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In this work, the effects of alkoxy-substitution on two well-known non-fullerene acceptors, IDT-series and Y-series acceptors, were investigated. The resulting molecules, IDTN-O and Y6-O, exhibited altered properties compared to the original acceptors, resulting in improved device performance. The alkoxy substitution led to enhanced open-circuit voltage and better blend morphology, ultimately optimizing the performance of the devices based on IDTN and Y6.
In this work, we attempt to figure out alkoxy-substitution effects on two kinds of well-known non-fullerene acceptors (NFAs), IDT-series and Y-series acceptors, by placing alkoxy side chains on the beta -positions of the outer thiophene units. The resulting molecules, named IDTN-O and Y6-O, exhibit different properties compared to the original acceptors named IDTN and Y6. The HOMO and LUMO levels of IDTN-O are slightly upshifted at the same time, which causes a slightly higher open-circuit voltage (V-oc) without sacrificing the short-circuit current density (J(sc)) of the devices. J71:IDTN-O blend films can also achieve a better blend morphology due to the conformational locking effect and higher dipole moment induced by the alkoxy groups, which helps achieve a higher fill factor (FF). In addition, Y6-O exhibits significantly upshifted LUMO levels compared to Y6, leading to a high V-oc of 0.95 V. PM6:Y6-O blend films can also maintain an optimal blend morphology through side-chain engineering, which leads to an excellent FF of 78.0%. As a result of alkoxy substitution, both IDTN-O and Y6-O-based devices can achieve better performances of 12.1% and 16.6% than IDTN and Y6-based devices (10.9% and 15.7%), which indicates that this is an effective method to optimize these two types of NFAs.

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