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October 12, 2025Open Access

Computational and Experimental Investigation of Chiral and Achiral 2D Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties

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Authors

MMMd Mehdi MasudJVJarek VieraABAzza Ben‐Akacha

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Overview

Computational analysis reveals electronic and optical properties of chiral and achiral perovskites, suggesting novel applications in optoelectronics.

Key Points

  • This study finds that chiral organic lead bromide perovskites exhibit strong circularly polarized luminescence, enhancing their optoelectronic applications.
  • The octahedral tilt angle in (FMBA)$_2$PbBr$_4$ was measured to be 14°, indicating significant inversion symmetry-breaking effects on electronic behavior.
  • Density functional theory (DFT) with van der Waals corrections showed improved accuracy in predicting structural and optical characteristics against experimental results.
  • Understanding these structural properties is crucial for advancing technologies in areas like optoelectronics and spintronics.

Cite This Study

Masud et al. (2025) studied this question.

synapsesocial.com/papers/68ec1be02b8fa9b2b78ad3d5https://doi.org/10.48550/arxiv.2509.07152
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