Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.257
Publication date: 16th December 2024
Over the last ten years, the role of hybrid metal halide perovskites has received significant attention as suitable materials for various electronic applications. Indeed, their outstanding optoelectronic properties such as high-power conversion efficiency, tunable bandgap, and high absorption coefficient, make them suited for several applications in different devices as photovoltaic cells, photodetectors, light emitting diodes, and sensors[2]. Starting from the hybrid organic-inorganic perovskites (HOIPs), the introduction of a chiral molecule as organic cation leads to the breaking of the spatial inversion symmetry, allowing new possible designs based on the combination of polarity and chirality[1,3]. In the scientific scene, this opened plenty of novel applications provided by outstanding chiroptical properties, such as circular dichroism, circular polarized emission, chiral induced spin selectivity and so on. To extend the actual knowledge of these chiral systems, it is important to investigate those parameters which have a major impact on the chirality transfer mechanism, with the final aim to unveil it. From a material chemistry point of view this involve an important work on materials’ structure, involving several modulations/substitutions on the latter. More specifically, in this contribution we will present the results of the role of the organic cation, showing the modulation of the optoelectronic properties engineering unconventionally chiral cation. Firstly, we decide to move away from the commercial chiral cation and to synthesize homologous series that can help unveil the role of the chemical nature of the cation on the chiroptical properties. We obtained a new phase (R-/S-AMOL)PbI3 and the correspondence with the Sn[4]. The work provides a comparison not only in terms of structural features and chiroptical properties but also in terms of computational modelling, which helps us to deeply understating the role of organic cation and the difference in terms of efficiency moving from a Pb-based perovskites to a Pb-free one. Final aim of this work is to unveil the impact of chemical degrees of freedom on the chirality transfer between the organic cation and the inorganic framework to provide tuning strategies for materials engineering.
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