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<p>Wide-bandgap (WBG) perovskite top cells in inverted (p–i–n) devices are essential for advancing high-efficiency tandem photovoltaics, yet their performance is often limited by non-radiative losses and halide phase segregation originating from the NiO<sub>x</sub>/perovskite buried interface. Here, we report a carbazole–phosphine oxide small molecule (MeO-CzPO) designed as a multifunctional interlayer to regulate the buried interface. The molecule integrates an extended π-conjugated carbazole backbone for efficient hole extraction, methoxy and phosphine oxide Lewis bases for passivating undercoordinated Pb<sup>2+</sup> defects, and an enhanced molecular dipole (4.32 D) that promotes favorable energy-level alignment. Incorporation of MeO-CzPO facilitates high-quality perovskite film formation and reduces interfacial defect density, leading to suppressed ion migration and enhanced resistance to light-induced halide phase segregation. As a result, WBG (<i>E</i><sub>g</sub> = 1.75&#xa0;eV) perovskite solar cells (PSCs) with MeO-CzPO achieved an improved power conversion efficiency (PCE) from 19.2 to 20.0%, retain 88.2% of their initial efficiency after 500&#xa0;h under continuous illumination, and maintain a halide-stable phase under continuous illumination. This study demonstrates a rational molecular design approach that combines dipole modulation with defect passivation, enabling stable and high-performance WBG PSCs for tandem photovoltaics.</p> Graphical abstract <p></p>

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Halide-stable wide-bandgap perovskite solar cells via carbazole–phosphine oxide interface engineering

  • 期刊论文

  • 发表日期：

    2026年7月27日

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  • Juan Anthony Prayogo,
  • Haeun Kim,
  • Soobin Heo,
  • Hyung-Sun Kim,
  • Dong Ryeol Whang,
  • Dong Wook Chang,
  • Hui Joon Park

摘要

Wide-bandgap (WBG) perovskite top cells in inverted (p–i–n) devices are essential for advancing high-efficiency tandem photovoltaics, yet their performance is often limited by non-radiative losses and halide phase segregation originating from the NiOx/perovskite buried interface. Here, we report a carbazole–phosphine oxide small molecule (MeO-CzPO) designed as a multifunctional interlayer to regulate the buried interface. The molecule integrates an extended π-conjugated carbazole backbone for efficient hole extraction, methoxy and phosphine oxide Lewis bases for passivating undercoordinated Pb2+ defects, and an enhanced molecular dipole (4.32 D) that promotes favorable energy-level alignment. Incorporation of MeO-CzPO facilitates high-quality perovskite film formation and reduces interfacial defect density, leading to suppressed ion migration and enhanced resistance to light-induced halide phase segregation. As a result, WBG (Eg = 1.75 eV) perovskite solar cells (PSCs) with MeO-CzPO achieved an improved power conversion efficiency (PCE) from 19.2 to 20.0%, retain 88.2% of their initial efficiency after 500 h under continuous illumination, and maintain a halide-stable phase under continuous illumination. This study demonstrates a rational molecular design approach that combines dipole modulation with defect passivation, enabling stable and high-performance WBG PSCs for tandem photovoltaics.

Graphical abstract