Mitigating the Undesirable Chemical Reaction between Organic Molecules for Highly Efficient Flexible Organic Photovoltaics

Organic photovoltaics (OPVs) with nonfullerene acceptors (NFAs) feature excellent device performance and device stability. However, they are facing problems when the amine‐rich polyelectrolytes are used as cathode interfacial layers. In this work, a small molecule, ethanedithiol (EDT) at the polyethyleneimine ethoxylated (PEIE)/active layer interface is inserted for mitigating the undesirable reaction between amine‐rich groups and electron‐acceptor moieties in NFA. The main role of EDT is to passivate the PEIE surface and prevent electron flow to NFA and the unwanted reaction can be mitigated. It improves the performance of OPV devices by reducing the work function, decreasing trap‐assisted recombination, and improving electron‐mobility. As a result, the flexible device with the PEIE interfacial layer with a power conversion efficiency (PCE) of 7.20% can be improved to 10.11% after the inclusion of EDT. Moreover, EDT‐modified device can retain 98.18% after it is bent for 200 cycles and can maintain 80.83% of its initial PCE under continuous light illuminated in ambient conditions without any encapsulation. Based on these findings, the proposed strategy constitutes a crucial step toward highly efficient flexible OPVs.