Understanding perovskite solar cells: a comparative analysis of simulation models and experimental outcomes

Abstract

This thesis presents a detailed analysis of hybrid halide perovskite solar cells (PSCs), a rising PV technology with the potential to exceed traditional silicon-based solar cells in cost-effectiveness, efficiency, and manufacturabil ity. Utilizing a simulation-driven approach, it explores light management and charge transport within the perovskite solar cell stack. The Transfer Matrix Model (TMM) and Drift-Diffusion Model (DDM) are used with experimental data to reveal important findings. The TMM Python code facilitates optical analysis of the multilayer PSC stack, providing insights into light capture and optical losses. We modified the TMMcodeto deduce the External Quantum Efficiency (EQE) and idealized short-circuit current density (Jsc) for different architectures and materials. Further to address the shortfalls of TMM, the SCAPS 1D simulation tool, based on the DDM was used to simulate open-circuit voltage (Voc), fill factor (FF), and Power Conversion Efficiency (PCE) for the cells. This broadens our understanding of photovoltaic parameters’ dependence on factors like layer thickness, defect density, and more. A key finding is a positive correlation between PCE and dopant density in the active perovskite layer beyond a certain doping density threshold.