RESUMO
In recent years, inorganic perovskite materials have attracted a lot of attention in the field of solar technology due to their exceptional structural, optical, and electronic properties. This study thoroughly investigated, using first-principles density-functional theory (FP-DFT), the impact of compressive and tensile strain on the structural, optical, and electrical properties of the inorganic cubic perovskite Sr3AsI3. The unstrained planar Sr3AsI3 molecule exhibits a direct bandgap of 1.265 eV value at Γ point. The bandgap of the Sr3AsI3 perovskite is lowered to 1.212 eV when the relativistic spin-orbital coupling (SOC) effect is subjected in the observations. In addition, the structure's bandgap exhibits a falling prevalence due to compressive strain and a slight rise due to tensile strain. The optical indicators such as dielectric functions, absorption coefficient, reflectivity, and electron loss function show that this component has a great ability to absorb in the visible range in accordance with band characteristics. When compressive strain is raised, it is discovered that the spikes of the dielectric constant of Sr3AsI3 move to lower photon energy (redshift), and conversely, while growing tensile strain, it exhibits increased photon energy changing behavior (blueshift). As a result, the Sr3AsI3 perovskite is regarded as being ideal for use in solar cells for the production of electricity and light management.
RESUMO
Antimony (Sb) chalcogenides such as antimony selenide (Sb2Se3) and antimony sulfide (Sb2S3) have distinct properties to be used as absorber semiconductors for harnessing solar energy including high absorption coefficient, tunable bandgap, low toxicity, phase stability. The potentiality of Sb2Se3 and Sb2S3 as absorber material in Al/FTO/Sb2Se3(or Sb2S3)/Au heterojunction solar cells (HJSCs) with 2D tungsten disulfide (WS2) electron transport layer (ETL) layer has been investigated numerically using SCAPS-1D solar simulator. A systematic investigation of the impact of physical properties of each active material of Sb2Se3, Sb2S3, and WS2 on photovoltaic parameters including layer thickness, carrier doping concentration, bulk defect density, interface defect density, carrier generation, and recombination. This study emphasizes the exploration of causes of low performance of actual devices and demonstrates the individual variation in the open-circuit voltage (VOC), short-circuit current density (JSC), fill factor (FF), power conversion efficiency (PCE) and quantum efficiency (QE). Thereby, highly potential heterostructures of Al/FTO/WS2/absorber (Sb2Se3 or Sb2S3)/Au proposed, in which, the PCE over 28.20 and 26.60% obtained with V OC of 850 and 1230 mV, J sc of 38.0 and 24.0 mA/cm2, and FF of 86.0 and 89.0% for Sb2Se3 and Sb2S3 absorber, respectively. These detailed findings revealed that the Sb-chalcogenide heterostructure with potential WS2 ETL can be used to realize the fabrication of feasible thin film solar cells and thus the design of high-efficiency high-current (HEHC) and high-efficiency high-voltage (HEHV) solar panels.
