Near-Full-Spectrum Emission Control in Copper(I) Iodides via Inorganic Structural Engineering Within a Single-Cation...

Area of Science:

• Materials Science
• Solid-State Chemistry
• Optoelectronics

Background:

• Hybrid copper(I) halides are promising optoelectronic materials.
• Correlating their structure with optical properties is challenging.

Purpose of the Study:

• Synthesize a series of copper(I) iodides with controlled inorganic structures.
• Establish a structure-property relationship for luminescence.

Main Methods:

• Controlled synthesis of copper(I) iodides using a [C13H24N]+ cation template.
• Characterization using spectroscopy and theoretical analysis.
• Investigation of stimuli-responsive phase transitions.

Main Results:

• Achieved distinct monomeric, dimeric, trimeric, and tetrameric inorganic configurations.
• Demonstrated systematic bandgap reduction and color tuning (blue to yellow) with increasing aggregation.
• Identified self-trapped excitons as the emission mechanism, influenced by Cu-I configuration.

Conclusions:

• Inorganic framework engineering in hybrid copper(I) halides precisely controls electronic structure and optical properties.
• Provides a pathway for rational design of materials with tailored luminescence.