Boosting efficiency above 28% using effective charge transport layer with SrSbI based novel inorganic perovskite.

Strontium antimony iodide (SrSbI) is one of the emerging absorbers materials owing to its intriguing structural, electronic, and optical properties for efficient and cost-effective solar cell applications. A comprehensive investigation on the structural, optical, and electronic characterization of SrSbI and its subsequent applications in heterostructure solar cells have been studied theoretically. Initially, the optoelectronic parameters of the novel SrSbI absorber, and the possible electron transport layer (ETL) of tin sulfide (SnS), zinc sulfide (ZnS), and indium sulfide (InS) including various interface layers were obtained by DFT study. Afterward, the photovoltaic (PV) performance of SrSbI absorber-based cell structures with SnS, ZnS, and InS as ETLs were systematically investigated at varying layer thickness, defect density bulk, doping density, interface density of active materials including working temperature, and thereby, optimized PV parameters were achieved using SCAPS-1D simulator. Additionally, the quantum efficiency (QE), current density-voltage (-), and generation and recombination rates of photocarriers were determined. The maximum power conversion efficiency (PCE) of 28.05% with of 34.67 mA cm, FF of 87.31%, of 0.93 V for SnS ETL was obtained with Al/FTO/SnS/SrSbI/Ni structure, while the PCE of 24.33%, and 18.40% in ZnS and InS ETLs heterostructures, respectively. The findings of this study contribute to in-depth understanding of the physical, electronic, and optical properties of SrSbI absorber perovskite and SnS, ZnS, and InS ETLs. Additionally, it provides valuable insights into the potential of SrSbI in heterostructure perovskite solar cells (PSCs), paving the pathway for further experimental design of an efficient and stable PSC devices.