1. Comprehensive numerical analysis of doping controlled efficiency in lead-free CsSn1−xGexI3 perovskite solar cell.
- Author
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Hasan, Nazmul, Anik, M. Hussayeen Khan, Hasan, Mohammed Mehedi, Islam, Sharnali, and Kabir, Alamgir
- Subjects
SOLAR energy conversion ,DENSITY functional theory ,ABSORPTION spectra ,ENERGY consumption ,TEMPERATURE distribution ,SOLAR cells ,SOLAR cell efficiency - Abstract
One effective way to prevent toxicity and improve the stability of materials for photovoltaic applications is to exclude lead and organic molecules from perovskite materials. Specifically, the CsSn
1−x Gex I3 appears to be a promising contender; nonetheless, it requires optimization, particularly bandgap tuning by doping concentration modifications. In this study, density functional theory (DFT) was employed to comprehensively analyze the electronic properties of CsSn1−x Gex I3 that influenced light-matter interactions tuning of the perovskite materials by varying composition in B site atoms. We use the solar cell capacitance (SCAPS-1D) simulator to compute device performance; however, it computes the absorption spectrum using a simplified mathematical function that approximates the actual spectrum. To achieve a quantum-mechanical level of accuracy DFT extracted parameters like absorption spectra and bandgap were fed into SCAPS-1D. We find that increasing the Ge concentration leads to a higher bandgap and improved absorption profile, thereby enhancing solar energy conversion efficiency. Thermal and field distribution analyses were also done for the optimized device through a finite-difference time-domain (FDTD) framework. By optimizing the absorber layer with a 75% Ge concentration, we achieve a remarkable PCE of 23.55%. Our findings guide future research in designing high-performance non-leaded halide PSCs, paving the way for low-cost, stable, and highly efficient solar cells through atomic doping-tuned perovskite absorber layers. [ABSTRACT FROM AUTHOR]- Published
- 2025
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