To improve the performance of inverted perovskite solar cells, we introduce a novel approach to enhance the devices’ efficiency notably. Our novel strategy incorporates a cutting-edge metasurface-based reflector featuring TiO ₂ nanodiscs within a MoSe ₂ layer, employed as an electron transport layer (ETL). Demonstrating a substantial improvement in light reflection from the lower part of the structure, the TiO ₂ nanodiscs as a metasurface-based reflector enhance electron transfer. Notably, the metasurface-based perfect reflector, incorporating TiO ₂ nanodiscs, outperforms other TiO ₂ nanocube variations with an impressive light reflectance of 97.95%. Exploring different materials for electron transport layers (ETLs) and hole transfer layers (HTLs), we identify MoSe ₂ as a potent secondary absorbent material, featuring a smaller bandgap than the primary absorbent MAPbI ₃, thereby intensifying the electric field within the active layer and improving Power Conversion Efficiency (PCE). In the final evaluation, our inverted metasurface-based device structure (ITO/Cu ₂O (HTL)/MAPbI ₃/TiO ₂ nanodiscs and MoSe ₂ (ETL)/aluminum/SiO ₂) significantly enhances the solar cell’s electrical characteristics compared to the planar reference structure (ITO/CuSCN/MAPbI ₃/TiO ₂/aluminum), with noteworthy increases in J _sc, V _oc, and PCE values from 17.98 mA/cm ² to 21.91 mA/cm ², 1.03 V to 1.07 V, and 15.33% to 19.17%, respectively. Our proposed inverted metasurface-based device structure represents a promising potential in the construction of high-performance perovskite solar cells.