Prospects of Ternary Cd1−xZn x S as an Electron Transport Layer and Associated Interface Defects in a Planar Lead Halide Perovskite Solar Cell via Numerical Simulation

Abstract

In this study we present a ternary alloy, Cd1−xZn x S as an electron transport layer for a planar lead halide perovskite solar cell via numerical simulation with solar cell capacitance simulator (SCAPS) software. Performance dependence on molar composition variation in the Cd1−xZn x S alloy was studied for the mixed perovskite CH3NH3PbI3−xCl x absorber and spiro-OMeTAD hole transport material in a planar perovskite solar cell. Additionally, the defects on both Cd1−xZn x S/CH3NH3PbI3−xCl x and CH3NH3PbI3−xCl x /spiro-OMeTAD interface were thoroughly investigated. Simultaneously, a thickness of 700 nm for CH3NH3PbI3−xCl x absorber with 50-nm-thick Cd0.2Zn0.8S (x = 0.8) was optimized. Analysis of the numerical solutions via SCAPS provides a trend and pattern for Cd0.2Zn0.8S as an effective electron transport layer for planar perovskite solar cells with a yield efficiency up to 24.83%. The planar perovskite solar cell shows an open-circuit voltage of 1.224 V, short-circuit current density of 25.283 mA/cm2 and a fill factor of 80.22.