Numerical Investigation of Perovskite/Silicon Heterojunction Tandem Solar Cell with a Dual-Functional Layer of MoO_X

This study proposed a novel perovskite/silicon heterojunction (SHJ) tandem device structure without an interlayer, represented as ITO/NiO/perovskite/SnO₂/MoO_X/i-a-Si:H/n-c-Si/i-a-Si:H/n-a-Si:H/Ag, which was investigated by Silvaco TCAD software. The recombination layer in this structure comprises the carrier transport layers of SnO₂ and MoO_X, where MoO_X serves dual functions, acting as the emitter for the SHJ bottom cell and as part of the recombination layer in the tandem cell. First, the effects of different recombination layers are analyzed, and the SnO₂/MoO_X layer demonstrates the best performance. Then, we systematically investigated the impact of the carrier concentration, interface defect density, thicknesses of the SnO₂/MoO_X layer, different hole transport layers (HTLs) for the top cell, absorption layer thicknesses, and perovskite defect density on device performance. The optimal carrier concentration in the recombination layer should exceed 5 × 10¹⁹ cm⁻³, the interface defect density should be below 1 × 10¹⁶ cm⁻², and the thicknesses of SnO₂/MoO_X should be kept at 20 nm/20 nm. CuSCN has been found to be the optimal HTL for the top cell. When the silicon absorption layer is 200 μm, the perovskite layer thickness is 470 nm, and the defect density of the perovskite layer is 10¹¹ cm⁻³, the planar structure can achieve the best performance of 32.56%. Finally, we studied the effect of surface texturing on the SHJ bottom cell, achieving a power conversion efficiency of 35.31% for the tandem cell. Our simulation results suggest that the simplified perovskite/SHJ tandem solar cell with a dual-functional MoO_X layer has the potential to provide a viable pathway for developing high-efficiency tandem devices.