Computational Investigation of Cs2BiAgI6 for Perovskite Solar Cell Applications Using SCAPS-1DPages 72-82
Abstract:
This work studies the possibility of Cs2BiAgI6, a lead-free double perovskite material, as a light absorber in PSCs. Different device designs were simulated using SCAPS software to optimize power conversion efficiency across varied temperatures, absorber thicknesses and bandgaps. The influence of HTLs and ETLs on device performance was further explored. Among the simulated structures, Str. 1 (TCO/TiO2/Cs2BiAgI6/Cu2O/Ag) attained the maximum PCE of 22.2% at a thickness of 700 nm, highlighting the importance of adjusting absorber layer thickness for efficiency enhancement. The investigation demonstrated a tradeoff between bandgap and electrical properties, where a larger bandgap led to lower Jsc but a greater Voc. Str. 2 (TCO/ZnO/Cs2BiAgI6/Cu2O/Ag) displayed the highest PCE of 20.72% at 300 K with a 1.7 eV bandgap and a 500 nm thick absorber layer. However, increasing temperature to 380 K resulted in a considerable fall in open circuit voltage (Voc) and PCE for all configurations, illustrating the thermal sensitivity of these devices. Str. 3 (TCO/SnO2/Cs2BiAgI6/CBTS/Au) displayed the greatest PCE of 21% with a 1.45 eV bandgap, underscoring the necessity of bandgap engineering in PSC design. The research studied the JV characteristics and Quantum Efficiency of the simulated devices. Str. 1 demonstrated an extraordinary broad- spectrum absorption of around 97% at 360 nm, showing its potential for efficient light harvesting across a wide range of the solar spectrum. These findings show that Cs2BiAgI6 based PSCs have promise as highly efficient and stable replacements to traditional solar cells also the path for the development of sustainable and cost-effective solar energy conversion devices based on lead free double perovskites.
Keywords: Lead free double perovskite material (Cs2BiAgI6), Perovskite solar cells (PSC), SCAPS-1D Simulation, Power conversion efficiency (PCE), Band gap engineering, Thermal stability
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