Bismuth-based halide perovskite (CsBi₃I₁₀) is a promising absorber material for the fabrication of eco-friendly perovskite solar cells (PSCs). In this research, the performance of the CsBi₃I₁₀-based PSCs with different hole transport layers (HTLs) has been numerically analyzed. The open circuit voltage (V_OC) has enhanced up to 360 mV after the addition of NiO_x HTL in the heterostructure of the CsBi₃I₁₀-based PSC. A comprehensive numerical study of the role of band alignment, key defect parameters of the CsBi₃I₁₀ absorber layer, and CeO_x/CsBi₃I₁₀ interface on the newly designed heterostructure (ITO/CeO_x/CsBi₃I₁₀/NiO_x/Au) performance of the CsBi₃I₁₀-based PSC has been conducted. A massive deterioration of the V_OC has been initiated when defect concentration (N_t) of CsBi₃I₁₀ crosses above 10¹⁴ cm⁻³. Apart from the N_t, defect energy level within the bandgap (E_t), and holes capture cross-section (σ_p) of the CsBi₃I₁₀ layer have also significantly affected the V_OC loss. Besides, the investigation indicates that the device performance is almost independent of E_t of the CeO_x/CsBi₃I₁₀ interface and slightly decreases with the increase of N_t and σ_p. Finally, the photovoltaic performance of the PSC has been explored for various thickness and carrier concentration of the CsBi₃I₁₀, cerium oxide (CeO_x), and nickel oxide (NiO_x). Therefore, this research provides efficient guidelines for the fabrication of eco-friendly high-performance CsBi₃I₁₀-based PSCs.