Performance simulation of the perovskite solar cells with Ti3C2 MXene in the SnO2 electron transport layer

Abstract MXenes, a class of two-dimensional (2D) transition metal carbides and nitrides, have a wide range of potential applications due to their unique electronic, optical, plasmonic, and other properties. SnO 2 –Ti 3 C 2 MXene with different contents of Ti 3 C 2 (0.5, 1.0, 2.0, 2.5 wt‰), experimentally, has been used as electron transport layers (ETLs) in Perovskite Solar Cells (PSCs). The SCAPS-1D simulation software could simulate a perovskite solar cell comprised of CH 3 NH 3 PbI 3 absorber and SnO 2 (or SnO 2 –Ti 3 C 2 ) ETL. The simulation results like Power Conversion Efficiency (PCE), Open circuit voltage (V OC ), Short circuit current density (J SC ), Fill Factor (FF), and External Quantum Efficiency (EQE) have been compared within samples with different weight percentages of Ti 3 C 2 MXene incorporated in ETL. Reportedly, the ETL of SnO 2 with Ti 3 C 2 (1.0 wt‰) effectively increases PCE from 17.32 to 18.32%. We simulate the role of MXene in changing the ideality factor (n id ), photocurrent (J Ph ), built-in potential (V bi ), and recombination resistance (R rec ). The study of interface recombination currents and electric field shows that cells with 1.0 wt‰ of MXene in SnO 2 ETL have higher values of ideality factor, built-in potential, and recombination resistance. The correlation between these values and cell performance allows one to conclude the best cell performance for the sample with 1.0 wt‰ of MXene in SnO 2 ETL. With an optimization procedure for this cell, an efficiency of 27.81% is reachable.