Interfacial Passivation with Arylphosphonic Acids Boosts Inverted PSC Performance
Yanyan Duan a, Wentao Liu a, Eva Unger a
a Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Germany, Berlin, Germany
Proceedings of MATSUS Fall 2025 Conference (MATSUSFall25)
A2 Molecular Interfaces for Emerging Photovoltaics - #InterPero
València, Spain, 2025 October 20th - 24th
Organizers: Vincent M. Le Corre and Esma Ugur
Oral, Yanyan Duan, presentation 266
Publication date: 21st July 2025

The buried interface between the perovskite absorber and the hole-transporting layer (HTL) has emerged as a critical bottleneck that limits both the power conversion efficiency (PCE) and long-term operational stability of inverted perovskite solar cells (PSCs)[1,2]. We propose a rational interfacial engineering strategy involving the incorporation of a thin interlayer composed of arylphosphonic acids at the buried perovskite/HTL interface. This molecular layer facilitates chelating interactions with undercoordinated Pb² ions at the perovskite surface, thereby effectively passivating interfacial defects. Additionally, the bulky aryl groups and multidentate coordination introduce steric hindrance, which modulates perovskite crystallization dynamics and promotes the formation of uniform, defect-suppressed films. The resultant inverted PSCs demonstrate remarkable photovoltaic performance, achieving a PCE of 26.8% on a small-area device (0.053 cm²) with an exceptional fill factor (FF) exceeding 87%. On a larger active area of 1.08 cm², the device maintains a high PCE of 25.6% with an open-circuit voltage (Voc) of 1.21 V and a FF of 80.3%. Furthermore, these devices exhibit high operational stability under both indoor conditions (including room and elevated temperatures) and prolonged outdoor maximum power point tracking, highlighting this interfacial modification approach in advancing the practical deployment of high-efficiency inverted PSCs.

This works was supported by the Solar TAP project, the Alexander von Humboldt Foundation for postdoctoral researchers, and the China Scholarship Council.

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