article · IOP Conference Series Materials Science and Engineering
Flexible perovskite solar cells offer promising efficiency, but the use of toxic lead hinders commercial adoption and causes rapid degradation. Computational modelling provides a pathway to explore non-toxic alternatives such as bismuth. In this work, simulation software was used to model an n-i-p planar flexible solar cell utilising methyl ammonium bismuth iodide as a lead-free absorber. The design incorporates a flexible polyethylene terephthalate substrate coated with indium tin oxide, paired with organic transport layers and a silver electrode. By examining the impact of operating temperature, absorber thickness, and defect density, the system reached a simulated power conversion efficiency of 18.80 percent using a 100-nanometre absorber layer at 300 Kelvin. The investigation demonstrated that the fill factor decreases as absorber thickness grows, while defect density directly influences the device absorption coefficient.
Perovskite solar cells could accelerate clean energy adoption, yet relying on toxic lead poses environmental and health risks that stall commercialisation. Developing effective lead-free alternatives that retain high efficiency on flexible substrates supports the transition toward safer, durable renewable energy technologies suitable for bendable and lightweight electronics.
This study represents early-stage computational modelling, presenting an optimised design for non-toxic, flexible solar cells rather than a physically tested device. The findings could guide photovoltaic developers and materials researchers seeking to replace hazardous lead with bismuth in flexible electronics. Physical fabrication, stability testing, and pilot manufacturing trials will be necessary before this concept approaches commercial viability.
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Abstract Despite perovskite solar cells’ rapidly increasing efficiency, industrializing and commercializing the device presents several challenges. Top among these is toxicity due to the material’s lead-based perovskite usage, which causes rapid degradation. Because of this challenge, researchers have recently become interested in lead-free perovskite materials. In this research, we investigate using the SCAPS simulation software to optimize a lead-free flexible solar cell. Lead (Pb), which belongs to group 14, can likely be replaced with bismuth (Bi), which belongs to group 15. In this study, the structure of the device is an n-i-p planar lead-free heterostructure flexible perovskite solar cell (FPSC) comprised of a Polyethylene Terephthalate/Indium Tin Oxide (PET/ITO) substrate; [6,6]-phenyl C61 butyric acid methyl ester (PCBM) Electron Transport Layer (ETL); methyl ammonium bismuth iodide (CH3NH3BiI3) as an absorber; Spiro-OMeTAD as a Hole Transport Layer (HTL); and silver (Ag) as the electrode. We optimised cell performance and efficiency with an absorber layer of 100 nm and an optimised temperature of 300 K. This absorber layer’s thickness and defect density were considered. The defect density of the FPSC is indirectly proportional to the device’s absorption coefficient (alpha). We obtained a power conversion efficiency (PCE) of 18.80%, a current density (J SC ) of 35.59 mA/cm 2 , an open circuit voltage (V OC ) of 0.633 V, and a fill factor (FF) of 83.43%. We also observed that the FF is inversely proportional to the thickness of the absorber layer of the FPSC.
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DOI: 10.1088/1757-899x/1278/1/012004
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