Achieving 32.9% efficiency in Pb-Based quantum dot solar cells via SCAPS-1D simulation optimization
Abstract
This study presents a comprehensive investigation and in-depth analysis of the optimization of Pb-based quantum dot solar cells (QDSCs), concentrating on the influences of doping concentration, absorber layer thickness, defect density, temperature, and resistive elements. We systematically examined three absorber materials: lead sulfide (PbS), tetrabutylammonium iodide-treated PbS (PbS-TBAI), and lead selenide (PbSe) quantum dots (QDs). Optimal doping concentrations of 1×1017 cm−3 for PbS and 1×1022 cm−3 for both PbS-TBAI and PbSe were identified. Our findings reveal that precise control of these parameters can significantly enhance power conversion efficiency (PCE), achieving values of 24.6%, 28%, and 26.2% for PbS, PbS-TBAI, and PbSe, respectively. Additionally, we investigated the impact of absorber layer thickness on device performance. We discovered that a 1 µm thickness for PbS yields a maximum PCE of 32.9% due to balanced photon absorption and reduced Shockley–Read–Hall recombination. Conversely, PbSe’s performance declined with increased thickness because of its layer-dependent bandgap. We found that lower defect densities ( 1×1014 cm−3) critically improve PCE and fill factor across all materials. The temperature-dependent studies demonstrated that PbS-TBAI exhibits remarkable resilience, maintaining efficiency under thermal stress due to effective surface passivation. Analyses of series and shunt resistances highlighted the importance of minimizing internal…
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