Optical time-lapsed in situ mechanochemical studies on metal halide perovskite systems

Yonghao Xiao, David G. Bradley, Wei Xin Chan, Xinwen Hu, Lian Xiao, Zhenpeng Liu, Zi Yang Tan, Xin Zhao, Chenfei Li, Mansour Sadek, Vikash Kumar Ravi, Ying Hern Tam, Xiaotao Wang, Felipe García, Handong Sun, Seow Chin Low, Poh Boon Phua, Tze Chien Sum, Xiuwen Zhou (), Yee-Fun Lim (), John V. Hanna () and Han Sen Soo ()
Additional contact information
Yonghao Xiao: Nanyang Technological University
David G. Bradley: University of Warwick
Wei Xin Chan: Nanyang Technological University
Xinwen Hu: Nanyang Technological University
Lian Xiao: Nanyang Technological University
Zhenpeng Liu: Nanyang Technological University
Zi Yang Tan: Nanyang Technological University
Xin Zhao: Nanyang Technological University
Chenfei Li: Nanyang Technological University
Mansour Sadek: Nanyang Technological University
Vikash Kumar Ravi: Nanyang Technological University
Ying Hern Tam: Nanyang Technological University
Xiaotao Wang: Yuncheng Vocational and Technical University
Felipe García: Clayton
Handong Sun: University of Macau
Seow Chin Low: EnterpriseOne
Poh Boon Phua: EnterpriseOne
Tze Chien Sum: Nanyang Technological University
Xiuwen Zhou: 2 George Street
Yee-Fun Lim: 1 Pesek Road
John V. Hanna: University of Warwick
Han Sen Soo: Nanyang Technological University

Nature Communications, 2025, vol. 16, issue 1, 1-14

Abstract: Abstract Metal halide perovskites are attractive for optoelectronic applications, but the existing solution-based synthetic methods rely on hazardous solvents and lack reproducibility. To overcome these challenges, solvent-free mechanochemical synthesis of perovskites can be conducted, although traditional opaque ball milling equipment hinder real-time monitoring of the reaction progress. Herein, mechanochemistry was performed with time-lapsed in situ (TLIS) measurements to elucidate the optical properties during the synthesis. The TLIS spectrometer enabled real-time observation of the impact of varying the compositions on the absorption properties of formamidinium/methylammonium lead iodide (FAxMA1-xPbI3, x = 0 to 1) and facilitated optimization of the synthesis duration. Moreover, we can accelerate the evaluation and directly observe the effects of different synthetic strategies for enhancing the photoluminescence quantum yield and stability of the perovskites, providing near-infrared (NIR) emitting tin-based perovskites FASnIzBr3-z (where z = 0 to 3) with core-shell structures. Intriguingly, halide ion migration was deduced in lead-free double perovskites Cs2NayAg1-yBiCl6 (y = 0 to 1.0) at room temperature during aging after mechanochemical activation. Our work provides insights into the mechanochemistry of compounds with low thermodynamic barriers.

Date: 2025
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DOI: 10.1038/s41467-025-56571-w

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