Optimizing Cs2CuBiBr6 double halide perovskite for solar applications: the role of electron transport layers in SCAPS-1D simulations

Abstract

Perovskite solar cells are commonly employed in photovoltaic systems because of their special characteristics. Perovskite solar cells remain efficient, but lead-based absorbers are dangerous, restricting their manufacture. Therefore, studies in the field of perovskite materials are now focusing on investigating lead-free perovskites. The SCAPS-1D simulator is used to simulate the impact of lead-free double perovskite as the absorber in perovskite solar cells. The research examines how the effectiveness of solar cells is impacted by a hole transport layer (CBTS) and several electron transports layers (WS₂, C₆₀, PCBM, and TiO₂), using Ni and Al acting as the back and front contacts metal. This work explores the impact of a Cs₂CuBiBr₆ perovskite as a solar cell absorber. The effectiveness of these device structures depends on defect density, absorber thickness, ETL thickness, and ETL combination. With WS₂, C₆₀, PCBM, and TiO₂, the device's power conversion efficiency (PCE) is 19.70%, 18.69%, 19.52%, and 19.65%, respectively. This research also highlights the impact of the absorber and HTL thickness. This investigation further included the analysis of the valence band offset (VBO) and conduction band offset (CBO). We also investigated the current density–voltage (J–V), quantum efficiency (QE), series and shunt resistance, capacitance-Mott–Schottky characteristics, and photocarrier generation–recombination rates and effective temperature. This study provides crucial structural design guidelines for a lead-free double perovskite device and highlights solar energy optoelectronic developments.