Modeling and Simulation of Lead-Free Perovskite Solar Cell Using SCAPS-1D

Abstract

In this work, the effect of some parameters on tin-based perovskite (CH₃NH₃SnI₃) solar cell were studied through device simulation with respect to adjusting the doping concentration of the perovskite absorption layer, its thickness and the electron affinities of the electron transport medium and hole transport medium, as well as the defect density of the perovskite absorption layer and hole mobility of hole transport material (HTM). A device simulator; the one-dimensional Solar Cells Capacitance Simulator (SCAPS‑1D) program was used for simulating the tin-based perovskite solar cells. The current-voltage (J-V) characteristic curve obtained by simulating the device without optimization shows output cell parameters which include; open circuit voltage (V_oc) = 0.64V, short circuit current density (I_sc) = 28.50mA/, fill factor (FF) = 61.10%, and power conversion efficiency (PCE) = 11.30% under AM1.5 simulated sunlight of 100mW/cm² at 300K. After optimization, values of the doping concentration, defect density, electron affinity of electron transport material and hole transport material were determined to be: 1.0x10¹⁶cm^-3, 1.0x10¹⁵cm^-3, 3.7 eV and 2.3 eV respectively. Appreciable values of solar cell parameters were obtained with  J_sc of 31.38 mA/cm², V_oc of 0.84 V, FF of 76.94% and PCE of 20.35%. when compared with the initial device without optimization, it shows improvement of ~1.10 times in J_sc, ~1.80 times in PCE, ~1.31 times in Voc and ~1.26 time in FF. The results show that the lead-free CH₃NH₃SnI₃  perovskite solar cell which is environmentally friendly is a potential solar cell with high theoretical efficiency of 20.35%.