Hybrid Perovskites: Enabling the rational design of chiral hybrid perovskites

This joint QuATOMs–HyMaD project aims to establish the structure–property relationships that govern the chiroptical and optoelectronic properties of chiral hybrid perovskites, enabling the rational design of these materials for next-generation chiroptoelectronic devices.

Chiral hybrid perovskites are an emerging class of semiconductors that combine the excellent optoelectronic properties of hybrid perovskites with the unique ability to interact with circularly polarised light. Their potential for applications such as circularly polarised light photodetectors has sparked growing interest, yet the fundamental mechanisms linking molecular structure to chiroptical performance remain largely unexplored.

This joint QuATOMs–HyMaD project combines quantum mechanical modelling with experimental validation to uncover these structure–property relationships. Computational design and density functional theory calculations are used to develop new chiral organic cations and predict their influence on chirality transfer, electronic structure and charge transport. These predictions are subsequently validated through synthesis and advanced optical and structural characterisation. The resulting design principles will guide the development of next-generation chiral hybrid perovskites for future chiroptoelectronic applications.