The paper explores the potential of BaZrS₃ chalcogenide perovskites as a promising absorber material for photovoltaic devices. Despite the lack of experimental reports on their applicability, theoretical studies using the SCAPS-1D tool reveal significant device engineering opportunities. By varying 12 electron transport layers (ETLs) and 13 hole transport layers (HTLs), 782 devices were simulated, optimizing parameters such as thickness, carrier concentration, and defect density. Key findings include: 1. **Optimization of Absorber Properties**: The absorber's thickness optimization enhanced absorption by 2.31 times, increasing charge carrier generation rates. Higher carrier concentrations boosted the built-in potential from 0.8 to 1.68 V, reducing charge carrier accumulation at interfaces. 2. **Device Configuration Optimization**: The best power conversion efficiency (PCE) of 28.08% was achieved for the configuration FTO/ZrS₃/BaZrS₃/SnS/Au, attributed to suppressed barrier heights and degenerate behavior of SnS, enhancing charge carrier transportation and conductivity. 3. **Metal Contact Optimization**: Ohmic contact with Pt achieved a PCE of 28.17%, due to its low work function and high Fermi level alignment with the HTL, facilitating hole transfer. 4. **Ti Alloying Impact**: Ti alloying in BaZrS₃ reduced the band gap to 1.51 eV, extending absorption into the NIR region. The highest PCE of 32.58% was achieved for Ba(Zr0.96Ti0.04)S₃, further enhancing performance. 5. **Lattice Mismatch and Parasitic Resistances**: The reduction in lattice mismatch between Ba(Zr0.96Ti0.04)S₃ and other layers improved device performance. Low series resistance (Rₐ) and high shunt resistance (Rₘ) were crucial for efficient device operation. 6. **Temperature Stability**: The device maintained high PCE (31.79%) even at elevated temperatures (300-400 K), demonstrating stability comparable to lead halide perovskites. This study provides a comprehensive guide for experimentalists to fabricate high-performance BaZrS₃-based solar cells, highlighting the potential of chalcogenide perovskites in photovoltaics.The paper explores the potential of BaZrS₃ chalcogenide perovskites as a promising absorber material for photovoltaic devices. Despite the lack of experimental reports on their applicability, theoretical studies using the SCAPS-1D tool reveal significant device engineering opportunities. By varying 12 electron transport layers (ETLs) and 13 hole transport layers (HTLs), 782 devices were simulated, optimizing parameters such as thickness, carrier concentration, and defect density. Key findings include: 1. **Optimization of Absorber Properties**: The absorber's thickness optimization enhanced absorption by 2.31 times, increasing charge carrier generation rates. Higher carrier concentrations boosted the built-in potential from 0.8 to 1.68 V, reducing charge carrier accumulation at interfaces. 2. **Device Configuration Optimization**: The best power conversion efficiency (PCE) of 28.08% was achieved for the configuration FTO/ZrS₃/BaZrS₃/SnS/Au, attributed to suppressed barrier heights and degenerate behavior of SnS, enhancing charge carrier transportation and conductivity. 3. **Metal Contact Optimization**: Ohmic contact with Pt achieved a PCE of 28.17%, due to its low work function and high Fermi level alignment with the HTL, facilitating hole transfer. 4. **Ti Alloying Impact**: Ti alloying in BaZrS₃ reduced the band gap to 1.51 eV, extending absorption into the NIR region. The highest PCE of 32.58% was achieved for Ba(Zr0.96Ti0.04)S₃, further enhancing performance. 5. **Lattice Mismatch and Parasitic Resistances**: The reduction in lattice mismatch between Ba(Zr0.96Ti0.04)S₃ and other layers improved device performance. Low series resistance (Rₐ) and high shunt resistance (Rₘ) were crucial for efficient device operation. 6. **Temperature Stability**: The device maintained high PCE (31.79%) even at elevated temperatures (300-400 K), demonstrating stability comparable to lead halide perovskites. This study provides a comprehensive guide for experimentalists to fabricate high-performance BaZrS₃-based solar cells, highlighting the potential of chalcogenide perovskites in photovoltaics.