Numerical simulation of BiSI and BiSeI absorber material for peroveskite based solar cells using scaps 1-D

Abstract

The research is centered on numerically simulating lead-free bismuth Chalcohalide Solar Cells based on thin films of Bismuth Sulfur Iodide (BiSI) and Bismuth Selenium Iodide (BiSeI) through the Solar Cell Capacitance Simulator (SCAPS 1D). The cell architecture comprising with the titanium dioxide (TiO2) for the electron transport layer (ETM) and the Spiro-OMeTAD for the hole transport layer (HTM). Furthermore, we employed Bismuth Sulfur Iodide (BiSI) and Bismuth Selenium Iodide (BiSeI) as the absorbing layers, sandwiched between two electrode materials. Specifically, Fluorine-doped tin dioxide (FTO) served as the front electrode contact, and Gold (Au) was utilized as the back electrode contact. During the research, the simulations were conducted using the SCAPS simulator to investigate the performances of the cell by varying thickness of the absorbing layer and the operating temperature. This straightforward cell architecture facilitated a comprehensive exploration of device parameters. The maximum power conversion efficiency (PCE) of 16.19% (open-circuit voltage Voc of 1.0066 V, short-circuit current Jsc of 28.255 mA/cm2 , and fill factor FF of 56.37%) is obtained at 1500 nm BiSI layer thickness for an optimized device with TiO2 as the ETL and Spiro- OMeTAD as the HTL for both materials. The maximum power conversion efficiency (PCE) of 22.59 % (open-circuit voltage Voc of 1.1819 V, short-circuit current Jsc of 31.989 mA/cm2, and fill factor FF of 59.15 %) is obtained at 1500 nm BiSI layer thickness for an optimized device with TiO2 as the ETL and Spiro-OMeTAD as the HTL for both materials of Bismuth Sulfur Iodide (BiSI) and Bismuth Selenium Iodide (BiSeI), and the optimized device temperature range was determined to be between 290K and 310K while determining 1500 nm as the optimum thickness of the absorbing layer.