4.8 Article

Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells

Journal

CHEMSUSCHEM
Volume 14, Issue 17, Pages 3579-3589

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cssc.202100746

Keywords

aggregation; morphology; organic semiconductors; photovoltaics; solar cells

Funding

  1. APRC Grants of the City University of Hong Kong [9380086]
  2. Innovation and Technology Bureau [ITS/497/18FP, GHP/021/18SZ]
  3. Guangdong-Hong Kong-Macao joint laboratory of optoelectronic and magnetic materials [2019B121205002]
  4. Research Grants Council of Hong Kong [C5037-18G]
  5. Guangdong Major Project of Basic and Applied Basic Research [2019B030302007]
  6. Office of Naval Research [N00014-20-1-2191]
  7. National Research Foundation (NRF) of Korea [NRF-2016M1A2A2940911, 2019R1A6A1A11044070]
  8. Hong Kong Scholars Program [XJ2019-026]
  9. Science and Technology Program of Shaanxi Province [2019JQ-244]
  10. Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology [2019YQ3-03]

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This study successfully optimized the film structure of polymer solar cells by systematically adjusting the molecular aggregation patterns of unfused non-fullerene acceptors (UF-NFAs), leading to improved efficiency of the photovoltaic devices.
Tuning molecular aggregation via structure design to manipulate the film morphology still remains as a challenge for polymer solar cells based on unfused non-fullerene acceptors (UF-NFAs). Herein, a strategy was developed to modulate the aggregation patterns of UF-NFAs by systematically varying the pi-bridge (D) unit and central core (A') unit in A-D-A'-D-A framework (A and D refer to electron-withdrawing and electron-donating moieties, respectively). Specifically, the quantified contents of H- or J-aggregation and crystallite disorder of three UF-NFAs (BDIC2F, BCIC2F, and TCIC2F) were analyzed via UV/Vis spectrometry and grazing incidence X-ray scattering. The results showed that the H-aggregate-dominated BCIC2F with less crystallite disorder exhibited a more favorable blend morphology with polymer donor PBDB-T (poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione)]) relative the other two UF-NFAs, resulting in improved exciton dissociation and charge tranport. Consequently, photovoltaic devices based on BCIC2F delivered a promising power conversion efficiency of 12.4 % with an exceptionally high short-circuit current density of 22.1 mA cm(-2).

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