Efficient and Lead-Free Perovskite Solar Cells Based on Defect-Ordered Methyl Ammonium Antimony Iodide

The primary focus of this work is on the numerical modeling of lead-free methyl ammonium antimony iodide (MA3Sb2I9) based on perovskite solar cells (PSCs) by deploying solar cell capacitance simulator (SCAPS). In our work, antimony-based low bandgap perovskite in p-i-n heterojunction configuration fluorine doped tin oxide (FTO)/Cu:NiO/MA3Sb2I9/ZnO/Al has been considered as the key component of the solar cell, which has a power conversion efficiency (PCE) of 22.03%. In the meantime, we have also considered several other materials as an electron transport layers (ETL) and a hole transport layer (HTL) to improve their performance. However, the incorporation of 2, <tex-math notation="LaTeX">2^ </tex-math> ,7, <tex-math notation="LaTeX">7^ </tex-math> -Tetrakis[ <tex-math notation="LaTeX">N </tex-math> , <tex-math notation="LaTeX">N </tex-math> -di(4-methoxyphenyl)amino]-9, <tex-math notation="LaTeX">9^ </tex-math> -spirobifluorene (Spiro-OMeTAD) and ZnO as a carrier transporting material (CTM) with MA3Sb2I9 material resulted in a PCE of 23.01% under the photoillumination of AM1.5.