Rational design of perylenediimide-based polymer acceptor for efficient all-polymer solar cells

Abstract

Abstract Perylenediimide (PDI)-based small molecules have significantly contributed to the development of non-fullerene acceptors, whereas the development of PDI-based polymer acceptors is relatively lagging behind. In this study, we designed and synthesized two PDI-based n-type polymers named as PF-PDI and PBDT-PDI, in which PDI was used as electron-deficient unit and fluorene (F) or benzodithiophene (BDT) were used as electronrich components. The density functional theory (DFT) calculations and grazing incidence wide-angle X-ray scattering (GIWAXS) results indicate that the PF-PDI shows larger steric hindrance and relatively weaker lamellar packing than that of PBDT-PDI. Comparing with PBDT-PDI, PF-PDI shows red-shift absorption and lower-lying HOMO level, which agrees well with the DFT results. A well-known wide bandgap polymer donor, PDBT-T1 was employed to fabricate polymer solar cells (PSCs) with the two acceptors. The all polymer solar cells (all-PSCs) based on PDBT-T1:PF-PDI showed a high power conversion efficiency (PCE) of 4.47%, which is approximately 2-fold larger than that of devices with PDBT-T1:PBDT-PDI (PCE = 2.70%).