Modeling organic electron transport layers in mixed cation tin-based perovskite solar cells

To meet the demands of the contemporary world, lead-free and non-toxic materials must be found in the pursuit of sustainable energy. Perovskite solar cells (PSCs) based on FAMASnI₃ appear to be a promising alternative because they are non-toxic and inexpensive. Computational modeling enables efficient analysis of perovskite solar cell performance, optimizing materials, interfaces, and device architectures without extensive experimental trials. It accelerates innovation by providing insights into mechanisms like charge transport, recombination, and defect dynamics, saving time and costs. In the present study, the evaluation of FAMASnI₃-based PSCs with organic electron transport layers (ETLs), such as FNiPc, BrNiPc, and C₆₀, has been presented with SCAPS-1D software. Optimizing the absorber layer thickness (\(300 nm\)) and defect density (\(1\times {10}^{13} c{m}^{-3}\)), the performance of these PSCs has been enhanced. Furthermore, the effect of ETL thickness on solar cell efficiency is also studied. The results shows that the maximum power conversion efficiency of the PSCs is 22.89%, with a \({V}_{OC}\) of 0.94 V, \({J}_{SC}\) of 28.54 mA/cm², and FF of 85.06%, is achieved by utilizing BrNiPc as the ETL material and FAMASnI₃ as the absorber layer. These results show that great efficiency may be achieved at cheaper manufacturing costs and with little environmental impact when tin-based lead-free PSCs are produced.

Graphical abstract