Prospects of Ternary Cd1−<italic>x</italic>Zn<italic>x</italic>S as an Electron Transport Layer and Associated Interface Defects in a Planar Lead Halide Perovskite Solar Cell via Numerical Simulation.

In this study we present a ternary alloy, Cd_{1−<italic>x</italic>}Zn_{<italic>x</italic>}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 Cd_{1−<italic>x</italic>}Zn_{<italic>x</italic>}S alloy was studied for the mixed perovskite CH₃NH₃PbI_{3−<italic>x</italic>}Cl_{<italic>x</italic>} absorber and spiro-OMeTAD hole transport material in a planar perovskite solar cell. Additionally, the defects on both Cd_{1−<italic>x</italic>}Zn_{<italic>x</italic>}S/CH₃NH₃PbI_{3−<italic>x</italic>}Cl_{<italic>x</italic>} and CH₃NH₃PbI_{3−<italic>x</italic>}Cl_{<italic>x</italic>}/spiro-OMeTAD interface were thoroughly investigated. Simultaneously, a thickness of 700 nm for CH₃NH₃PbI_{3−<italic>x</italic>}Cl_{<italic>x</italic>} absorber with 50-nm-thick Cd_0.2Zn_0.8S (<italic>x</italic> = 0.8) was optimized. Analysis of the numerical solutions via SCAPS provides a trend and pattern for Cd_0.2Zn_0.8S 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. [ABSTRACT FROM AUTHOR]