Small molecule perylene diimide derivatives with different bay site modifications as cathode interface layers for organic solar cells

Abstract

Cathode interface layers (CILs) can effectively elevate the performance of organic solar cells (OSCs), and the development of CILs with high thickness insensitivity is the focus of commercializing OSCs. PDI derivatives proved to be potential CILs, and bay modification could further adjust the coplanarity and optimize the film-forming properties of PDI-based CILs. Thus, two novel CILs with intermediate-sized spacer groups were synthesized (PDINN-P3P and PDINN-TPA). In contrast to PDINN-P3P with m-diphenylbenzene, PDINN-TPA with triphenylamine can form stronger self-doping between the side chain of triphenylamine and the PDI backbone, resulting in higher charge transport capacity and better interface regulation ability. PDINN-TPA-based OSCs demonstrated a higher power conversion efficiency (PCE) of 16.11 % in the PM6:Y6 system, outperforming the PCE of PDINN-P3P-based OSCs (15.00 %). Meanwhile, PDINN-TPA expressed a favorable thickness processing range, a PCE of 14.19 % can be maintained with a thickness up to 35 nm. After storing in the glove box for 114 h, PDINN-TPA-based OSCs can exhibit excellent long-term stability (over 90 % of the optimal PCE). Besides, PDINN-P3P and PDINN-TPA were further utilized CILs in the PM6: BTP-eC9 system, and the PDINN-TPA-based OSCs acquired a PCE of 16.91 % (15.54 % for PDINN-P3P-based OSCs), highlighting the broad applicability of PDINN-P3P and PDINN-TPA. This study confirms that the synergistic effect of bay site modification and n-type self-doping on PDI can simultaneously optimize the thickness insensitivity and long-term stability of PDI-based CILs.