Boosting efficiency above 28% using effective charge transport layer with Sr 3 SbI 3 based novel inorganic perovskite.

Strontium antimony iodide (Sr 3 SbI 3 ) 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 Sr 3 SbI 3 and its subsequent applications in heterostructure solar cells have been studied theoretically. Initially, the optoelectronic parameters of the novel Sr 3 SbI 3 absorber, and the possible electron transport layer (ETL) of tin sulfide (SnS 2 ), zinc sulfide (ZnS), and indium sulfide (In 2 S 3 ) including various interface layers were obtained by DFT study. Afterward, the photovoltaic (PV) performance of Sr 3 SbI 3 absorber-based cell structures with SnS 2 , ZnS, and In 2 S 3 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 ( J - V ), and generation and recombination rates of photocarriers were determined. The maximum power conversion efficiency (PCE) of 28.05% with J SC of 34.67 mA cm -2 , FF of 87.31%, V OC of 0.93 V for SnS 2 ETL was obtained with Al/FTO/SnS 2 /Sr 3 SbI 3 /Ni structure, while the PCE of 24.33%, and 18.40% in ZnS and In 2 S 3 ETLs heterostructures, respectively. The findings of this study contribute to in-depth understanding of the physical, electronic, and optical properties of Sr 3 SbI 3 absorber perovskite and SnS 2 , ZnS, and In 2 S 3 ETLs. Additionally, it provides valuable insights into the potential of Sr 3 SbI 3 in heterostructure perovskite solar cells (PSCs), paving the pathway for further experimental design of an efficient and stable PSC devices.