Numerical Study of BaZrS3 Based Chalcogenide Perovskite Solar Cell Using SCAPS-1D Device Simulation

Abstract

Chalcogenide perovskites are prototypical absorber materials based solar cells, they could solve both: the stability and toxicity issues existing in conventional perovskites. A device simulation of BaZrS3 as a potential absorbing material (high chemical stability, direct band gap and a strong light absorption coefficient) based chalcogenide perovskite solar cells is performed by using the one dimensional Solar Cell Capacitance Simulator (SCAPS)-1D software. Parameters like (thickness, doping concentration, defect density of the absorber and interfaces, temperature) are varied in order to inspect their impact on device performance. For this study, a performed architecture has been proposed: FTO (Fluorine doped Tin Oxide)/TiO2 (ETL; Electron Transport Layer)/BaZrS3 (Absorber)/Spiro-OMeTAD (HTL; Hole Transport Layer)/Au (metal back contact). To enhance the solar cell efficiency, an optimization of these key parameters is investigated. Our simulation results in optimized thickness and doping density (NA, ND) of (80 nm; 1×1019 cm-3), (10 nm; 8×1019 cm-3), (850 nm; 1×1020 cm-3) and (60 nm; 9×1019 cm-3) for FTO, TiO2, BaZrS3 and Spiro-OMeTAD materials respectively, with a global illumination spectrum AM1.5 and 440 K as an optimum operation temperature, are found to be: PCE (maximum Power Conversion Efficiency) of 17.29%, FF (fill factor) of 86.26%, Voc (Open Circuit Voltage) of 1.2124 V and Jsc (Short Circuit current density) of 16.5363 mA/cm2.

Emerging BaZrS3 and Ba(Zr,Ti)S3 Chalcogenide Perovskite Solar Cells: A Numerical Approach Toward Device Engineering and Unlocking Efficiency

“…Yet, it is noteworthy that the PCE dropped by just 0.8%, underscoring the stability of Ba(Zr,Ti) S 3 compared with lead halide perovskites. Therefore, these findings highlight the potential of Ba(Zr,Ti) S 3 as a stable PV device. , …”

“…As the defect density increases, a decrease in all of the PV parameters is observed. This can be attributed to the increased recombination rate (Figure g) at higher defect densities . Thus, a defect density of 10 12 cm –3 is selected as an optimum value for the BaZrS 3 absorber.…”

“…46 Researchers recently employed BaZrS 3 and Ba(Zr,Ti)S 3 as absorbers in thin-film devices and studied their influence using SCAPS-1D. 37,47,48 However, a comprehensive study on the device engineering and properties of BaZrS 3 and Ba(Zr,Ti)S 3 is scarce, creating more room to discover and understand the potential of these absorbers in thin-film devices. Also, choosing the right electron transport layers (ETLs) and HTLs is crucial in creating efficient devices.…”

Impact of absorber layer thickness and defect density on the performance of MAPbI3 solar cells based on CuO2 as hole transport material

“…The simulation was run with light of 1000 Wm −2, a temperature of 300 K, and an AM 1.5 G air mass. The open-circuit voltage is calculated using [6]:…”

“…ETL (Electron Transport Layer) is used to dissuade cell short circuits by obstructing holes from reaching the FTO in addition to separating electron hole pairs and injecting photo generated electrons into n-type materials like TiO 2 , ZnO, and SnO 2 . TiO 2 is the most often utilized ETL material due to its adequate conduction band and high electron mobility, high transparency, exquisite carrier separation ability, environmental stability, and simple fabrication procedure [6]. Numerous metal oxides that consolidate at low temperatures, such as ZnO, SnO 2 , In 2 O 3 , and WO 3 , offer suitable energy levels for perovskite electron injection as alternatives to TiO 2 for electron transport.…”