Tailored Conductive Fullerenes-based Passivator for Efficient and Stable Inverted Perovskite Solar Cells

Abstract Interfacial defects result in a limitation to the development of highly efficient and stable perovskite solar cells. The passivation of these defects by adopting various interfacial defects passivation agents is a common method for boosting device performance. However, most existing interfacial defects passivation agents form poorly conductive aggregates at the perovskite interface with the electron transport layer (ETL), hindering the transport of charge carriers. In addition, the electron mobility of passivation agents is an important factor that affects the electron communication between the adjacent layers. Herein, a fullerene-based molecular passivator, [60]fullerene-4-(1-(4-(tert-butyl)phenyl)pyrrolidin-2-yl)benzenaminium (C60-tBu-I), is designed and synthesized. This novel n-doping fullerene ammonium iodide is developed as an interfacial modification agent to accelerate charge transport from the perovskite active layer into the ETL while hindering the nonradiative charge carrier recombination. Hence, compared with the control devices (15.66%), C60-tBu-I-modified device presents a higher efficiency of 17.75%. More importantly, the tert-butyl group dramatically enhances the resistance of perovskite films to water molecular. As a result, C60-tBu-I-modified devices exhibit excellent long-term stability, remaining at more than 87% of the initial power conversion efficiency value after storage for 500 h.