Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
Publication date: 16th December 2024
Hybrid organic inorganic metal halides (HOIMHs) show great potential in several application areas, including solar cells, light-emitting diodes, and photodetectors, thanks to their exceptional absorption and luminescence properties combined with the capability of tuning composition, crystal structure and consequently the energy bands [1,2]. In particular, the inclusion of chiral organic cations within the metal halide structure opens up the possibility of developing new materials that combine the excellent optical properties of HOIMHs with the advantages of chiral molecules, such as second-order nonlinear optical responses enabled by intrinsic lack of centrosymmetry [3]. Although HOIMHs are highly tunable, allowing for the design of various materials by tuning the constituents, nowadays lead halide-based ones remain the most investigated [4].
In this context, the goal of our investigation is the design of lead-free materials, incorporating GeII and SnII as well as the PbII counterpart for comparison, to study how the metal variation influences the material's structure, optoelectronic properties, and spin-orbit coupling (SOC). Simultaneously, we are also tuning the halogen atoms and the chiral amines, with a particular focus on dicationic ones such as 3-aminopiperidine and 3-aminoquinuclidine, to evaluate how steric hindrance and electronic characteristics affect the hydrogen bond network and octahedra arrangement. Through crystal structure analysis, chiroptoelectronic characterization and theoretical calculations we aim to evaluate which are the optimal characteristics that new HOIMHs for optoelectronic and spintronics applications should possess.
This work has been supported by Fondazione Cariplo, grant n° 2023-1246
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