Kakekochi, V.Kuo, D.-W.Chen, C.-T.Wolcan, E.Chen, C.-T.Udayakumar, U.K.2026-02-042022Organic Electronics, 2022, 102, , pp. -15661199https://doi.org/10.1016/j.orgel.2021.106428https://idr.nitk.ac.in/handle/123456789/22646This paper mainly discusses the structure-property relationship of two donor-acceptor-donor (D–π–A–π–D) type dopant-free hole transporting materials (HTMs) (TPA-TPy and TPA-Py-PTZ) comprising primarily of 2,4,6-trisubstituted pyridine as the acceptor core and 4,4′-dimethoxytriphenylamine as the peripheral donor groups and their use in p-i-n perovskite solar cells (PVSCs). Compared to inferior TPA-Py-PTZ, TPA-TPy has a superior hole extraction and hole transport at the HTM/perovskite interface. The pinhole-free, smooth and dense, fully covered and well-crystallized MAPbI<inf>3</inf> perovskite layer on TPA-TPy reduces the carrier recombination and substantially improves the short circuit current density (J<inf>SC</inf>), open circuit voltage (V<inf>OC</inf>), and the fill-factor (FF) of MAPbI<inf>3</inf> PVSCs. The PVSC employing TPA-TPy as HTM exhibits a power conversion efficiency (PCE) of 15.33% with a J<inf>SC</inf> of 23.69 mA cm−2, a V<inf>OC</inf> of 0.95 V, and a FF of 68.10%. Especially, both TPA-TPy and TPA-Py-PTZ PVSCs exhibit a better moisture stability than that of NiOx PVSCs. It is because of the hydrophobic nature of TPA-TPy and TPA-Py-PTZ, which enables the formation of MAPbI<inf>3</inf> perovskite layer having a larger grain-size, a less grain boundary, and a less infiltration of moisture. © 2022 Elsevier B.V.EfficiencyGrain boundariesHole mobilityHydrophobicityMoistureNickel compoundsOpen circuit voltagePerovskiteConjugationFill-factorHole-transporting materialsInverted perovskite solar cellMolecular holesNon-dopedNon-doped moleculeOrganic hole transporting materialsOrganic small molecularPerovskite layersPerovskite solar cells