The influence of different metals (II) in hybrid perovskite of (2-AMP)BI 4 (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

The first principle study on structural, electronic, and optical properties of 2D hybrid halide compound (2-AMP)BI 4 (B = Pb, Sn) was analyzed using CASTEP computer code. The calculations were performed using generalized gradient approximation (GGA) schemes. This study aims to look at a few characteristics of (2-AMP)SnI 4 as a potential replacement for (2-AMP)PbI 4 as a light absorber in solar cell applications due to its toxicity to humans and the environment. The results show that the substitution of lead (Pb) with tin (Sn) can replace Pb-based hybrid halide perovskite due to low band gap, high optical absorption in UV–Visible area, and improved polarizability of electric current. To conclude, 2D Sn-based solar cells are well suited for light harvesting in solar devices. This research may give some information on the properties of 2D Sn-based solar cells for use in renewable energy applications.