Numerical simulation of efficient fully 2D-stacked perovskite photovoltaics using Ruddlesden–Popper/dichalcogenide heterojunctions

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heterostructure provides favorable energy-level alignment and efficient charge-selective transport, resulting in enhanced device efficiency. We analyze the effects of perovskite layer thickness, trap-state density, charge-carrier mobility, operating temperature, and parasitic resistances on the photovoltaic parameters. After optimization using experimentally supported material properties and reliable interface defect densities, the proposed PSC achieved a simulated power conversion efficiency (PCE) of 25.249%, demonstrating the potential of 2D-stacked RP/TMD heterostructures.