Towards hybrid PbS quantum Dot/Perovskite solar cells to enhance PCE: An ab Initio study using SCAPS

• PSQD interlayer boosts perovskite solar cells’ performance. • Increasing the interlayer thickness reduces the built-in potential and decreases V OC . • Enhanced light absorption by increasing the PSQD thickness improves the J SC of devices. • Results indicate a maximum PCE of approximately 22 % by utilizing the PbS QDs with a bandgap of 1.15 eV. Hybrid organic-metal halide perovskite solar cells (PSCs) combined with PbS quantum dots (PSQDs) offer a promising approach for efficient optoelectronic devices due to their excellent properties and ability for multiple exciton generation. Using the Solar Cell Capacitance Simulator (SCAPS-1D), it is shown that adding a 20 nm thick PSQD interlayer with a bandgap energy of 1.15 eV and a defect density of 2 × 10 14 cm −3 to MAPbI 3 PSCs achieves a PCE of ∼ 22 %, highlighting the potential of hybrid perovskite/PbS photovoltaic devices as a strong alternative to conventional PSCs.