DFT analysis and comparative 1D optoelectrical simulation of AcPbI3 halide perovskite solar cell: introducing a new perovskite layer

Key Points

• Absorption efficiency in the new halide perovskite layer increased significantly, enhancing overall solar cell performance.
• Quantitative findings revealed a notable maximum absorption of 98.3% across a key wavelength range.
• Theoretical analysis using Density Functional Theory highlighted the structural advantages of the AcPbI3 composition.
• Moving forward, this approach calls for additional experimental validation to explore real-world applications.