This study aims to enhance CIGS solar cell efficiency while minimizing environmental impact by replacing the toxic CdS buffer layer with a ZnSe buffer layer. The CIGS chalcogenide semiconductor is a promising solar cell absorber material but has faced challenges related to defect-free manufacturing, misaligned buffer layers, and device configuration. Cuprous oxide (Cu2O) and zinc selenide (ZnSe), an inexpensive, eco-friendly, and widely available material, are suggested as a back surface field layer and buffer layer to enhance device performance. This paper proposes a new cadmium-free structure (Al/ZnO: Al/ZnO/ZnSe/CIGS/Cu2O/Ni) to enhance the efficiency of CIGS heterojunction solar cells by reducing charge carrier recombination losses. We utilized SCAPS-1D to simulate photovoltaic (PV) performance and examined the impacts of electron affinity, absorber thickness, interface defect density, operating temperature, radiative recombination coefficient, Mott-Schottky analysis, parasitic resistance, and quantum efficiency on photovoltaic characteristics. Optimization and choosing a suitable buffer and passivation layer gives the device efficiency of 31.13%, followed by VOC (0.92 V), JSC (40.40 mA/cm2), and FF (83.34 %) for the proposed structure. The radiative recombination coefficient found to be 10-13 cm3/s and the parasitic resistance of the solar cell are in good agreement for fabricating high-efficiency solar cells. These findings suggest that CIGS-based heterojunction solar cells represent a cutting-edge method for achieving high-efficiency solar cells that outperform earlier designs.