Phenylene-Bridged Perylene Monoimides as Acceptors for Organic Solar Cells: A Study on the Structure–Property Relationship

Bettina Schweda, Matiss Reinfelds*, Jakob Hofinger, Bäumel Georg, Thomas Rath, Petra Kaschnitz, Roland Fischer, Michaela Flock, Heinz Amenitsch, Markus C. Scharber, Gregor Trimmel*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


A series of non-fullerene acceptors based on perylene monoimides coupled in the peri position through phenylene linkers were synthesized via Suzuki-coupling reactions. Various substitution patterns were investigated using density functional theory (DFT) calculations in combination with experimental data to elucidate the geometry and their optical and electrochemical properties. Further investigations of the bulk properties with grazing incidence wide angle X-ray scattering (GIWAXS) gave insight into the stacking behavior of the acceptor thin films. Electrochemical and morphological properties correlate with the photovoltaic performance of devices with the polymeric donor PBDB-T and a maximum efficiency of 3.17 % was reached. The study gives detailed information about structure–property relationships of perylene-linker-perylene compounds.
Original languageEnglish
Article numbere202200276
Number of pages13
JournalChemistry - a European Journal
Issue number23
Publication statusPublished - 22 Apr 2022


  • density functional calculations
  • donor-acceptor systems
  • dyes
  • organic photovoltaics
  • perylene monoimide

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

Fields of Expertise

  • Advanced Materials Science

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)


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