Synergistic Hole Extraction and Defect Passivation via Co‐Assembled Monolayers for Efficient Wide‐Bandgap Perovskite and Tandem Solar Cells

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Chinese explanation / 中文解读

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Original abstract

ABSTRACT Incomplete surface coverage and weak end‐group interactions with perovskites in widely employed self‐assembled molecules (SAMs) pose a significant challenge to advancing perovskite photovoltaic devices, which is even more pronounced in perovskite/silicon tandem solar cells (PSTSCs). Herein, we implement a strategic co‐self‐assembled monolayers approach by introducing a bifunctional interconnector, 4‐nitrophenylboronic acid (NPBA), atop the NiO x /SAM film surface to strengthen the interfacial connection between the substrate and perovskite layer, while simultaneously suppressing the energy losses at the NiO x /SAM/perovskite interfaces. Robust anchoring of NPBA to the NiO x surface is achieved through synergistic interactions of its electron‐withdrawing nitro group (−NO 2 ) and electron‐donating boronic acid group (−B(OH) 2 ) with the exposed NiO x regions not covered by SAMs. This dual binding effectively suppresses the defects of NiO x and lowers its valence band, thereby enhancing hole selectivity. Furthermore, the synergistic passivation effect of −NO 2 and −B(OH) 2 groups contribute to highly passivated perovskites with healed Pb−Pb dimers and the iodide vacancies. As a result, the NPBA‐incorporated wide‐bandgap perovskite solar cells, featuring a bandgap of 1.7 eV, achieve a high power conversion efficiency (PCE) of 21.46%. Building on this, a maximum PCE of 31.28% with excellent operational stability is obtained in PSTSCs.

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