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Molecular Conformation Governs Self-Assembled Monolayer Orientation for High-Performance Perovskite Photovoltaics.

Created on 11 Sep 2026

Authors

Wansheng Zong, Bingyu Qi, Jike Ding, Tianxiao Liu, Tie Zhang, Chengjun Fang, Yingwu Tao, Xinjiang Wang, Jiajun Wang, Yuhui Yang, Cong Chen, Shangshang Chen, Lijun Zhang, Hongzheng Chen, Lijian Zuo

Published in

Angewandte Chemie (International ed. in English). Pages e9360909. Sep 10, 2026. Epub Sep 10, 2026.

Abstract

While highly ordered self-assembled monolayers (SAMs) are critically important for inverted perovskite solar cells (i-PSCs), precise control over molecular orientation remains a persistent challenge, hindering the concurrent achievement of high efficiency and long-term stability. To address this issue, we unveil that the molecular orientation of SAMs based on bis-carbazole phosphonates is governed by their conformational structures, which can be finely modulated through tailored carbazole-carbazole binding geometries. These structurally ordered layers provide a robust platform for deliberate energy level alignment and enhanced charge transport selectivity, enabling a certified power conversion efficiency of 27.2%, an impressive value that ranks among the highest reported for i-PSCs. Moreover, owing to the robust anchoring capability afforded by the bis-phosphonate design, the devices exhibit extended operational stability-retaining 96% of their initial efficiency after 1400 h under one-sun illumination and maximum power point tracking, and show excellent compatibility with scalable fabrication in ambient air. This work thus establishes a powerful chemical strategy for tailoring molecular orientation, providing a promising molecular design paradigm for advancing perovskite photovoltaics.

PMID:
42723349
Bibliographic data and abstract were imported from PubMed on 11 Sep 2026.

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