Publication date: 17th July 2025
Two-dimensional (2D) lead halide perovskites have emerged as promising materials for optoelectronic applications, particularly in achieving tuneable photoluminescence across the visible spectrum. Recent advances in precise dimensionality tuning have shown that controlled monolayer configurations of these materials can be engineered to achieve specific blue spectral emission, thereby expanding their utility in next-generation light-emitting devices. Understanding the excitonic features of these 2D materials is here crucial for optimizing their performance, and a theoretical framework using many-body perturbation theory provides a way to describe the interactions in these systems. Here, a Bethe-Salpeter equation approach provide the absolute energies of the electron and the hole, together with their mutual interactions. We employ a model Bethe-Salpeter equation (mBSE) with dielectric-dependent hybrid functionals to accurately model the excitonic properties of 2D lead halide perovskites and compare with optical response in 2D perovskites experimentally prepared in our laboratory. This approach incorporates a Coulomb kernel within the Fock exchange term, allowing us to capture the many-body effects inherent in the exciton dynamics. By leveraging a model dielectric function, we refine our results and achieve enhanced predictive capability regarding the theoretical optical properties of these materials with respect to the experimental values. Our findings confirm that manipulating dimensionality not only influences band structure in these low dimensional systems but also significantly alters the excitonic behaviour, underscoring the importance of using the appropriate level of theory to capture the experimental response when engineering efficient blue light-emitting devices based on 2D perovskites. This work paves the way for further exploration of 2D perovskites in various optoelectronic applications, positioning them as promising materials in the quest for high-performance, tuneable light sources.