Gunes, UmmugulsumYaylali, Figen VarliogluKarabag, Zeynep GozukaraGao, Xiao-XinSyzgantseva, Olga A.Karabag, AliekberYildirim, Gulsevim BensuTsoi, KonstantinShibayama, NaoyukiKanda, HiroyukiRafieh, Alwani ImanahZhong, LipingZuttel, AndreasDyson, Paul JosephYerci, SelcukNazeeruddin, Mohammad KhajaGunbas, Gorkem2023-08-282023-08-282023-08-282023-05-1710.1016/j.xcrp.2023.101380https://infoscience.epfl.ch/handle/20.500.14299/200232WOS:001043051000001The lack of long-term stability and reproducibility of perovskite solar cells (PSCs) is the main roadblock preventing their successful commercialization. 3D/2D PSCs are one of the most prominent ways to address these issues. Various salts that are mostly based on phenyl ethyl ammonium iodide (PEAI) have been utilized to grow a 2D perovskite layer on 3D perovskites. Herein, we report the effect of substituting the methoxy (-OMe) group at the ortho (o), meta (m), and para (p) positions on PEAI salts. Photoluminescence and time-resolved photoluminescence show that o-OMe-PEAI-treated surfaces achieve reduced defect densities and nonradiative recombination rates compared with the other analogs. Devices with PCEs over 23% are achieved for o-OMe-PEAI-based 3D/2D PSCs, and the enhanced performance is attributed to the favorable formation energy and desired vertical orientation according to the density functional theory (DFT) analyses. Finally, the unique orientation of the o-OMe-PEAI-based 2D perovskite results in significantly enhanced long-term, moisture, and thermal stability.Chemistry, MultidisciplinaryEnergy & FuelsMaterials Science, MultidisciplinaryPhysics, MultidisciplinaryChemistryEnergy & FuelsMaterials SciencePhysicshybrid perovskitescrystaltext::journal::journal article::research article