Proceedings of Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP27)
Publication date: 22nd October 2026
Wide-bandgap perovskite solar cells (WBG-PSCs) are attractive top cells for tandem photovoltaics, but their performance is limited by nonradiative recombination at the buried hole-transport-layer/perovskite interface. Molecular engineering of hole-selective self-assembled monolayers (SAMs) provides a route to reduce this voltage loss [1]. We designed two SAMs, FZ1 and FZ2, based on a donor–auxiliary acceptor–secondary auxiliary acceptor–π–acceptor (D–A1–A2–π–A) framework with linear and branched alkoxy substituents, respectively [2]. Density functional theory calculations gave dipole moments of 7.85 D for FZ1 and 9.51 D for FZ2. X-ray photoelectron spectroscopy confirmed carboxylate-mediated chemisorption on NiOx, while conductive atomic force microscopy showed uniform molecular coverage. The FZ-SAMs also shifted the NiOₓ work function by approximately 0.3 eV, improving the energetic alignment for hole extraction.
The hydrophobic FZ-SAM surfaces suppressed heterogeneous nucleation and produced FA0.8Cs0.2Pb(I0.6Br0.4)3 films with larger grains and improved crystallinity. Compared with MeO-2PACz, the photoluminescence quantum yield (PLQY) increased from 0.355% to 1.297% for FZ1 and 7.915% for FZ2. The corresponding quasi-Fermi level splitting increased from 1.247 to 1.280 and 1.327 eV, while FZ2 extended the average carrier lifetime from 13.43 to 64.75 ns. An inverted device using FZ2 reached a power conversion efficiency of 18.16%, with an open-circuit voltage (Voc) of 1.273 V, a short-circuit current density of 18.91 mA cm⁻², and a fill factor of 75.39%, compared with 16.84% for the MeO-2PACz control. Overall, these results show that the D–A1–A2–π–A SAMs suppress interfacial nonradiative recombination, with the branched alkoxy-substituted FZ2 providing the greatest reduction in voltage loss.
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International Conference on Hybrid and Organic Photovoltaics
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