Ab-initio and Experimental Investigation of Low-Dimensionality and Polarization-Driven Photophysical Mechanisms in Perovskite Derivatives

This thesis investigates how structural dimensionality, electronic confinement and polarisation controls light-matter interaction in perovskite-derived materials. Low-dimensional perovskites exhibit photophysical behaviour that differs significantly from that of their 3D counterpart, offering rich opportunities to engineer light-matter interactions. Using a combined computational and experimental approach, this research work uncovers excitonic behaviour, nonlinear optical effects and ferroelectric mechanisms that can be used to tailor stability and functionality of these materials. By bridging concepts that are traditionally studied independently, this work provides design principles for developing next-generation multifunctional perovskite materials for energy, optoelectronic and emerging quantum technologies.