What is the role of methyl iodide in the halide exchange reaction with MAPbBr3 single crystals?

Label:chem

Topic
Methyl iodide (CH3I) is used as a source of iodide ions in the halide exchange reaction with MAPbBr3 single crystals. This reaction involves substituting bromide ions with iodide ions within the perovskite structure, which can alter the material's composition, bandgap, and emission wavelength. Understanding the role of methyl iodide in this process is crucial for controlling the optoelectronic properties of perovskites.

From: "Tuning emission and bandgap dynamics of MAPbBr₃ single crystals through halide exchange with methyl iodide", Chemical Physics Impact, Volume 10, June 2025, 100807
Answer
Methyl iodide serves as a source of iodide ions in the halide exchange reaction with MAPbBr3 single crystals. When MAPbBr3 crystals are exposed to methyl iodide in hexadecene solvent, the iodide ions from the methyl iodide gradually replace the bromide ions in the crystal lattice. This substitution leads to a redshift in the emission spectrum from green (540 nm, 2.30 eV) to red (730 nm, 1.7 eV) and a decrease in the bandgap from 2.26 eV to 1.7 eV. The reaction follows first-order kinetics with a rate constant of 0.1049 min^-1 and a half-life of 6.6 minutes. This process enables precise control over the bandgap and emission properties of the perovskite material, which is essential for optimizing its performance in optoelectronic applications such as solar cells and LEDs.
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