Absorption dissymmetry factor enhancement: A data-driven approach to unravel the synthesis knobs of chiral 2D perovskites
Moral R.F. Alghalayini M.B. Nurdillayeva R.N. Lee D.-K. Kodalle T. Marchezi P.E. Fenning D.P. Noack M.M. Schwartz C.P. Sutter-Fella C.M.
2026Cell Press
Matter
2026
Chiral 2D metal halide perovskites (MHPs) are promising for spin-optoelectronic applications, yet their absorption dissymmetry factor (g abs ) exhibits significant variability due to complex, co-dependent structural and experimental factors. We established a data-driven framework using Pearson’s correlation, ANOVA, and Gaussian process regression to identify and model key synthesis “knobs” governing these properties. The analysis revealed that solvent choice is the primary factor driving variability. For acetonitrile-based films, g abs was maximized by optimizing annealing temperature and film thickness. Conversely, films from higher boiling point solvents showed complex dependencies on annealing temperature, excitonic integral intensity, and film texture. These statistical correlations provide a roadmap for the rational design of high-performance chiral MHPs and establish a foundation for future machine learning-driven material exploration.
ANOVA , CD , chiral 2D perovskites , circular dichroism , dissymmetry factor , Gaussian process regression , thin films
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Department of Physics & Astronomy, University of Nevada Las Vegas, Las Vegas, 89154, NV, United States
Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, 94720, CA, United States
Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, 94720, CA, United States
Khoja Akhmet Yassawi International Kazakh-Turkish University, Turkistan, 161200, Kazakhstan
Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, 94720, CA, United States
Aiiso Yufeng Li Family Department of Chemical and Nano Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, 92093, CA, United States
X-ray Sciences Division, Argonne National Laboratory, Lemont, 60439, IL, United States
Department of Physics & Astronomy
Molecular Foundry
Applied Mathematics and Computational Research Division
Khoja Akhmet Yassawi International Kazakh-Turkish University
Advanced Light Source
Aiiso Yufeng Li Family Department of Chemical and Nano Engineering
X-ray Sciences Division
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026