Multifunctional Phenothiazine-Based Self-Assembled Monolayer as a Hole-Selective Contact for Efficient Wide-Band-Gap Perovskite Solar Cells

作者：Yuzhen Zhang, Xiaorui Dong, Wang Li, Yawei Niu, Pengfei Wang, Minhuan Wang, Yichao Yan, Yunjie Dou, Xiaoyu Shi, Qian Zhang, Jingyang Wang, Shangshang Chen, Pengchen Zhu, Jia Zhu · 发表于：Nano Letters · 年份：2025 · DOI：10.1021/acs.nanolett.5c02152 · 被引用次数：12 · 研究领域：Perovskite Materials and Applications、Conducting polymers and applications、Quantum Dots Synthesis And Properties

Wide-band-gap (WBG) perovskite solar cells (PSCs) are key components of tandem devices, offering the potential to exceed the Shockley–Queisser limit. Despite their promise, WBG PSCs often suffer from significant open-circuit voltage ( V oc ) deficits, primarily caused by nonradiative recombination and mismatched interfacial energy alignment. Here, we present a novel multifunctional molecule, [4-(2-cyano-10 H -phenothiazin-10-yl)butyl]phosphonic acid (CN-4PAPT), specifically designed to address these challenges. CN-4PAPT functions as a superior hole-transport material with well-aligned energy levels and as a passivating agent to simultaneously reduce interface defects. Additionally, the inclusion of the cyano (−CN) functional group enhances the molecule’s dipole and also the binding interactions with both perovskite and transparent conductive oxide substrates, thus contributing to improved device stability. The integration of CN-4PAPT into WBG PSCs (1.67 eV) yields a certified power conversion efficiency of 22.66%. The device retained over 95% of its initial efficiency after 500 h of maximum power point tracking under one-sun illumination.