Wide-Band-Gap Mixed-Halide 3D Perovskites: Electronic Structure and Halide Segregation Investigation.

ABSTRACT: Mixed-halide organolead perovskites ( MAPbX3 ) are of great interest for both single-junction and tandem solar cells because of their wide band gap. In this study, we investigate the family of mixed iodide/bromide (I/Br) and bromide/chloride (Br/Cl) perovskites, revealing the strong influence of halide substitution on electronic properties, morphology, film composition, and phase segregation. A qualitative blue shift with the I → Br → Cl series was observed, with the resulting optical absorption ranging from 420 to 800 nm covering nearly the entire visible region. The ionization potential increases from ≈6.0 to ≈7.0 eV as the halide composition changes from I to Br. However, with Cl components, the valence band position shows little variation, while the conduction band minimum shifts to a

SUBMITTER: Zhang S 

PROVIDER: S-EPMC11187822 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature