Interfacial layer with a dibenzofulvene-bridged triphenylamine core for efficient and stable inverted perovskite solar cells

Considering the energy level cascade, introducing a hole transport layer (HTL) between the NiOx and perovskite layers has become a common and effective strategy to enhance the performance of inverted perovskite solar cells (PSCs). Herein, we designed and synthesized three hole-transporting interfacial layers (TPAD, TPAO, and TPAS) based on a dibenzofulvene-bridged triphenylamine (TPA) core to fabricate efficient and stable inverted NiO_x-based PSCs. Dibenzofulvene, known for its sp²-hybridized structure, offers superior planarity and molecular stacking, and it easily bonds with triphenylamine derivatives, resulting in unique light-harvesting and charge mobility properties for optoelectronic applications. Specifically, diphenylamine, dimethoxy diphenylamine, and dimethylthio diphenylamine were used as end-capping units for TPAD, TPAO, and TPAS, respectively. The NiO_x-based inverted PSC devices fabricated with TPAS as an interfacial layer effectively modified NiO_x to improve energy level alignment, enhance film quality and crystallinity, and improve carrier transport, leading to a high-quality perovskite layer and superior interface contact behavior. Consequently, this device yielded a highly efficient cell performance of 20.30 %, surpassing those using TPAD (19.29 %) and TPAO (18.78 %) as interfacial layers, and significantly outperforming devices using only NiO_x (17.69 %). Additionally, the champion cell exhibited negligible hysteresis and long-term stability. These findings demonstrate a facile approach to preparing multifunctional TPA-based hole transport materials and showcase the efficient performance of inverted cells based on a triphenylamine dibenzofulvene-based interfacial layer, contributing to the development of high-efficiency inverted PSCs.