Humidity Disrupts Structural and Chiroptical Properties of Chiral 2D Perovskites
Nurdillayeva R.N. Moral R.F. Pols M. Lee D.-K. Altoe V. Schwartz C.P. Tao S. Sutter-Fella C.M.
25 March 2025American Chemical Society
ACS Nano
2025#19Issue 1111348 - 11357 pp.
Chiral two-dimensional (2D) hybrid organic-inorganic metal halide perovskite semiconductors have emerged as an exceptional material platform with many design opportunities for spintronic applications. However, a comprehensive understanding of changes to the crystal structure and chiroptical properties upon exposure to atmospheric humidity has not been established. We demonstrate phase degradation to the 1D (MBA)PbI3 (MBA = methylbenzylammonium) and the hypothetical (MBA)3PbI5·H2O hydrate phases, accompanied by a reduction and disappearance of the chiroptical response. First-principle simulations show that water molecules preferentially locate at the interface between the organic cations and the inorganic framework, thereby disrupting the hydrogen bonding, impacting both the structural chirality and stability of the material. These findings provide critical insights into phase degradation mechanisms and their impact on chiroptical activity in chiral 2D perovskites.
chiral 2D perovskites , chiroptical properties , DFT calculations , humidity degradation , phase transformation
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Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, 94720, CA, United States
Khoja Akhmet Yassawi International Kazakh-Turkish University, Turkistan, 161200, Kazakhstan
Nevada Extreme Conditions Laboratory, University of Nevada, Las Vegas, Las Vegas, 89154, NV, United States
Materials Simulation & Modelling, Department of Applied Physics and Science Education, Eindhoven University of Technology, Eindhoven, 5600 MB, Netherlands
Molecular Foundry
Khoja Akhmet Yassawi International Kazakh-Turkish University
Nevada Extreme Conditions Laboratory
Materials Simulation & Modelling
10 лет помогаем публиковать статьи Международный издатель
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