Electrohydrodynamic-Mediated Molecular Coordination for Stabilizing α-Phase Perovskite Solar Cells

Abstract Formamidinium-rich perovskite solar cells (PSCs) have achieved remarkable efficiencies, yet their phase purity is often compromised by the competitive nucleation of the nonperovskite δ-phase during rapid processing. Herein, we demonstrate an electrohydrodynamic (EHD)-mediated chemical strategy to bypass this kinetic trap using a multifunctional molecular, tetramethylthiourea (TeMTU). By precision tuning of the surface tension-Coulombic repulsion balance, TeMTU orchestrates the EHD-driven microdroplet evolution, effectively locking the in-flight precursor into a critically supersaturated state that fundamentally suppresses δ-phase nucleation. Beyond macroscopic fluid dynamics, molecular-level investigations reveal that TeMTU forms robust coordination complexes with the lead halide framework. This chemical intervention significantly elevates the activation energy barrier for the α-to-δ phase transition by 42%, as corroborated by Density Functional Theory and variable-cell double-ended surface walking analysis. The resulting α-phase FA-based films exhibit exceptional crystallinity and a minimized defect density, enabling electrospray-fabricated PSCs to achieve an impressive power conversion efficiency (PCE) of 26.24% (0.05 cm2) and 25.39% (1.0 cm2). Furthermore, the chemically stabilized lattice demonstrates operational durability, retaining 95% of its initial PCE after 3000 h of continuous maximum power point tracking at 65 °C.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2026-09-24
DOI
https://doi.org/10.1021/jacs.6c05442
Primary Topic
Perovskite Materials and Applications
Type
article
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Electrohydrodynamic-Mediated Molecular Coordination for Stabilizing α-Phase Perovskite Solar Cells

Chunnian He, Xin Meng, Yi Hou, Zijing Dong et al.
Journal of the American Chemical Society
Perovskite Materials and Applications
article

Electrohydrodynamic-Mediated Molecular Coordination for Stabilizing α-Phase Perovskite Solar Cells

Chunnian He, Xin Meng, Yi Hou, Zijing Dong, Nengxu Li, Zhuojie Shi, Julian A. Steele, Xianchang Yan, Wan‐Jian Yin, Yuduan Wang, Zihao Zhu, Zhenxiang Xing, Eduardo Solano, Xinyi Du, Yoshiki Sugai, Ling Kai Lee, Jinxi Chen, Rong Ji, Yuzhong Chen, Chao Luo, Junxue Liu, Ran Luo, Yuhui Jiang, Xi Wang, Xiuxiu Niu, Zhouyin Wei, Xinyu Zhang, Tao Wang, Xiaohu Zhou
article en

Abstract

Abstract Formamidinium-rich perovskite solar cells (PSCs) have achieved remarkable efficiencies, yet their phase purity is often compromised by the competitive nucleation of the nonperovskite δ-phase during rapid processing. Herein, we demonstrate an electrohydrodynamic (EHD)-mediated chemical strategy to bypass this kinetic trap using a multifunctional molecular, tetramethylthiourea (TeMTU). By precision tuning of the surface tension-Coulombic repulsion balance, TeMTU orchestrates the EHD-driven microdroplet evolution, effectively locking the in-flight precursor into a critically supersaturated state that fundamentally suppresses δ-phase nucleation. Beyond macroscopic fluid dynamics, molecular-level investigations reveal that TeMTU forms robust coordination complexes with the lead halide framework. This chemical intervention significantly elevates the activation energy barrier for the α-to-δ phase transition by 42%, as corroborated by Density Functional Theory and variable-cell double-ended surface walking analysis. The resulting α-phase FA-based films exhibit exceptional crystallinity and a minimized defect density, enabling electrospray-fabricated PSCs to achieve an impressive power conversion efficiency (PCE) of 26.24% (0.05 cm2) and 25.39% (1.0 cm2). Furthermore, the chemically stabilized lattice demonstrates operational durability, retaining 95% of its initial PCE after 3000 h of continuous maximum power point tracking at 65 °C.

Journal of the American Chemical Society
Tianjin University (CN), The University of Queensland (AU), National University of Singapore (SG), Soochow University (TW), ALBA Synchrotron (Spain) (ES), Hefei University (CN), Star Technology and Research (United States) (US), Hefei National Center for Physical Sciences at Nanoscale (CN), Spectra Research (United States) (US), Florida International University Tianjin Center (CN), Zhejiang University (CN)
Affordable and clean energy
Openalex Percentile: Top 21%
Perovskite Materials and Applications
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