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

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.

Automated summary

A series of non-fullerene acceptors based on perylene monoimides coupled in the peri position through phenylene linkers were synthesized and their properties were investigated using theoretical calculations and experimental data. The stacking behavior of acceptor thin films was studied by grazing incidence wide angle X-ray scattering. The results showed correlations between the electrochemical and morphological properties and the photovoltaic performance of devices.