Enhancing solar cell efficiency beyond 27% through the implementation of an efficient charge transport layer utilizing an innovative inorganic perovskite Sr3PI3

Strontium phosphorus iodide (Sr3PI3) has attracted interest as a possible absorber material because of its unique optical, electronic, and structural properties, which make it appropriate for effective and reasonably priced solar cell applications. With an emphasis on its structural, optical, and electronic characteristics, this paper thoroughly examines the theoretical aspects of Sr3PI3 before investigating its possible uses in heterostructure solar cells. The optoelectronic characteristics of the novel Sr3PI3 absorber are first investigated, and a DFT analysis is conducted to determine appropriate electron transport layer (ETL) materials, including tin sulfide (SnS2), zinc sulfide (ZnS), and indium sulfide (In2S3), as well as different interface layers. The photovoltaic (PV) performance of cell architectures based on the Sr3PI3 absorber with SnS2, ZnS, and In2S3 as ETLs is then thoroughly investigated. Variations in layer thickness, defect density, bulk and doping density, active material interface density, working temperature, and other parameters are investigated in this study. By using the SCAPS-1D simulator, PV parameter optimization is accomplished. In addition, the study examined the generation and recombination rates of photocarriers, quantum efficiency (QE), and current density-voltage (J-V) properties. The structure with the highest power conversion efficiency (PCE) of 27.32% was the Al/FTO/SnS2/Sr3PI3/Ni combination. It achieved a JSC of 36.1146 mAcm−2, FF of 84.06%, and VOC of 0.899 V for the SnS2 ETL. In contrast, the PCEs in heterostructures for ZnS and In2S3 ETLs were 20.13 % and 17.87 %, respectively. The physical, electrical, and optical characteristics of SnS2, ZnS, and In2S3 ETLs, as well as Sr3PI3 perovskite absorbers are better understood as a result of this work. Furthermore, it provides insightful information about the possible use of Sr3PI3 in heterostructure perovskite solar cells (PSCs), laying the groundwork for future experimental plans intended to create stable and effective PSCs.