Investigation of Phase Separation in Bulk Heterojunction Solar Cells via Supramolecular Chemistry

In this work, we have prepared two donor–acceptor–donor (D-A-D) π-conjugated oligomers to investigate the effect of phase separation on the performance of bulk heterojunction (BHJ) solar cells. These charge transfer low band gap π-conjugated oligomers (TTB and NMeTTB) were synthesized by Knoevenagel condensation of terthiophenecarbaldehyde and barbiturate appended pyran derivative. The thin film morphology of both the oligomers and along with electron acceptor [6,6]-phenyl-C60-butyric acid methyl ester (PC₆₁BM) was investigated by atomic force microscopy (AFM) and transmission electron microscopy (TEM). The blend of NMeTTB and PC₆₁BM thin film yield highly ordered thin film, whereas there was clear phase separation between TTB and PC₆₁BM in thin film.The BHJ solar cell was fabricated using a blend of NMeTTB and TTB with PC₆₁BM acceptor in 1:1 ratio as active layer, and a power conversion efficiency of 1.8% was obtained. This device characteristic was compared with device having TTB:PC₆₁BM as active layer, and large difference is observed in photocurrents. This poor performance of TTB in BHJ devices was attributed to the difference in the nanoscale morphology of the corresponding derivatives. We rationalize our findings based on the low charge carrier mobility in organic field-effect transistors and miscibility/phase separation parameter of binary components (oligomers and PC₆₁BM) in the active layer of bulk heterojunction solar cells