Device simulation of lead-free CH 3 NH 3 SnI 3 perovskite solar cells with high efficiency

Abstract

The lead-free perovskite solar cells (PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite. CH 3 NH 3 SnI 3 is a viable alternative to CH 3 NH 3 PbX 3 , because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite. The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CH 3 NH 3 SnI 3 based cells greatly. In the paper, we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation. It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM, while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance. By further optimizing the parameters of the doping concentration (1.3 × 10 16 cm −3 ) and the defect density (1 × 10 15 cm −3 ) of perovskite absorption layer, and the electron affinity of buffer (4.0 eV) and HTM (2.6 eV), we finally obtain some encouraging results of the J sc of 31.59 mA/cm 2 , V oc of 0.92 V, FF of 79.99%, and PCE of 23.36%. The results show that the lead-free CH 3 NH 3 SnI 3 PSC is a potential environmentally friendly solar cell with high efficiency. Improving the Sn 2 + stability and reducing the defect density of CH 3 NH 3 SnI 3 are key issues for the future research, which can be solved by improving the fabrication and encapsulation process of the cell.