Numerical investigation of a high-efficiency BaZr_xTi_1-xS₃ chalcogenide perovskite solar cell

The potential of a BaZrxTi1-xS3-based hybrid solar cell that was expected to integrate the advantages offered by both chalcogenide and perovskite materials as absorbers was investigated in detail. Several commonly used materials as electron-transport layers (ETLs) and hole-transport layers (HTLs) were studied during the initial analysis to determine the most suitable architecture for obtaining high efficiency. The optimisation of the proposed solar cell with respect to several critical parameters, including the thickness, bandgap, bulk defect density, and doping concentration of the BaZrxTi1-xS3 chalcogenide perovskite absorber material was performed. Additionally, the presence of defects in the ETL/BaZrxTi1-xS3 and HTL/BaZrxTi1-xS3 interfaces were accounted for and their effect on the efficiency was also analysed. Furthermore, light-intensity-dependent investigations were also performed to determine the ideality factor and recombination losses in the reported solar cell. The results suggested that after appropriate engineering of the crucial parameters the optimised non-toxic BaZrxTi1-xS3 solar cells could achieve efficiencies over 27%.