Experimental Investigation and Numerical Simulation of Cs-based Vacancy-Ordered Double Perovskites for Solar Cell Development

Abstract

Vacancy-ordered perovskites (VOPs) represent a promising class of materials that offer lead-free alternatives with tunable properties, enhanced stability, and potential applications in solar cells, LEDs, sensors, and more. This study focuses on synthesizing and characterizing vacancy-ordered CS2SnkxBrx perovskite films at different temperatures (100°C, 120°C and 140 °C). The starting materials were first synthesized and characterized through XRD analysis. The films were then synthesized, using these materials at varying temperatures in a closed reactor, and were analyzed through XRD, DRS, Hall measurements, SEM, and EDX analysis. The objective was to comprehend the impact of synthesis temperature on perovskite films. These findings enhance the understanding of structural evolution in the films, offering pathways to tailor their properties for solar cell applications. Furthermore, utilizing SCAPS-1 D software, the study optimized an environmentally friendly, lead-free vacancy-ordered CS2PtI6 solar cell with Mo03 as the hole transport layer (HTL) and Srr as the electron transport layer (ETL). Further, effect of varying absorber layer, HTL and ETL thicknesses, absorber and interface layer defect density, effect of operating temperature, work function of back contact, series and shunt resistance of device parameters were studied. Quantum efficiency studies on the device were also carried out. This study highlights the importance of optimization of these parameters in achieving high-performance solar cells.