Simulation of Lead-Free Heterojunction CsGeI2Br/CsGeI3-Based Perovskite Solar Cell Using SCAPS-1D

Abstract

This paper presents the simulation of the novel prototype of a heterojunction perovskite solar cell (PSC) based on CSGeI2Br/CSGeI3. The device consists of two absorber layers (CSGeI2Br, CSGeI3), an electron transport layer (ETL) chosen as TiO2 and a hole transport layer (HTL) given as poly(3-hexylthiophene) (P3HT). Within the simulation, the effects of thickness, doping and defect density in each absorber layer and different back contact metal electrodes on electrical parameters (efficiency, short circuit current, open circuit voltage, and fill factor) are evaluated. In addition, the contribution of the HTL (doping density and thickness), temperature, shunt and series resistance were also checked on the same electrical parameters. The simulations are conducted in standard test conditions with the irradiation normalized as 0.1 W/cm2 using the SCAPS-1D platform. The maximum efficiency obtained within the simulation of this device was about 31.86%. For this device, the thickness of the CSGeI3 layer should be around 900 nm, while that of the CsGeI2Br should be around 100 nm to facilitate optimal absorption of the incident photons. The doping density in the absorber layer is such that in CsGeI3 should be around 1018 cm−3 and around 1016 cm−3 in the CsGeI2Brlayer. The defects densities in both layers of the perovskite materials should be around 1014 cm−3. Concerning the HTL, the thickness and the doping density of the P3HT should be around 50 nm and  1018 cm−3, respectively. In terms of the back contact electrode, the work function of the metal should be at least equal to 5 eV, corresponding to gold (Au) metal. The series resistance due to the connection of the cell to the external load should be very small, while the shunt resistance due to the leakage current in the solar cell should be high. Furthermore, the operating temperature of the new PSC should be maintained at an ambient level of around 25 °C in order to deliver high efficiency.