Optoelectronic Study of (MA)2NaBiX6 (MA= methyl ammonium; X=Cl, Br, I) Hybrid Double Perovskites by Ab initio Simulation
Year: 2025
Type: article
Abstract: High prospects for different optoelectronic applications have drawn much effort towards hybrid double perovskites for the commercialization of environmentally friendly Pb-free non-toxic perovskites. Herein, the optoelectronic study of (MA)2NaBiX6 (MA= methyl ammonium; X=Cl, Br, I) hybrid double perovskites by ab initio simulation was investigated. (MA)2NaBiBr6 and (MA)2NaBiCl6 have indirect X-M bandgaps while (MA)2NaBiI6 have indirect X- Γ bandgap of 2.98 eV, 3.64 eV and 2.32 eV respectively. The results also show that the iodide-based compound, (MA)2NaBiI6 exhibits superior optoelectronic properties compared to the bromide and chloride-based compounds, (MA)2NaBiBr6 and (MA)2NaBiCl6. These findings indicate that the (MA)2NaBiI6 hybrid double perovskite is a potential material for optoelectronic applications owing to its high absorption coefficient (on the order of 106cm-1), dielectric constant (approx.3.34), and refractive index (2.50) in addition to its high formation energy, which shows its stability.
Source: Scholar J
DOI: 10.67378/bvd32z94
Institution: Covenant University
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W7204084997