Passivation agent with dipole moment for surface modification towards efficient and stable perovskite solar cells

Abstract Recently, there has been renewed interest in interface engineering as a means to further push the performance of perovskite solar cells closer to the Schockly-Queisser limit. Herein, for the first time we employ a multi-functional 4-chlorobenzoic acid to produce a self-assembled monolayer on a perovskite surface. With this interlayer we observe passivation of perovskite surface defects and a significant suppression of non-radiative charge recombination. Furthermore, at the surface of the interlayer we observe, charge dipoles which tune the energy level alignment, enabling a larger energetic driving force for hole extraction. The perovskite surface becomes more hydrophilic due to the presence of the interlayer. Consequently, we observe an improvement in open-circuit voltage from 1.08 to 1.16 V, a power conversion efficiency improvement from 18% to 21% and an improved stability under ambient conditions. Our work highlights the potential of SAMs to engineer the photo-electronic properties and stability of perovskite interfaces to achieve high-performance light harvesting devices.