Bond-Mode Engineering in Copper(I) Halides: From Excitation-Dependent Luminescence to High-Resolution X-Ray Imaging
Haoyang Guan1, Luxuan Men1, Zhuoer Cai2
1Beijing Key Lab of Microstructure and Property of Advanced Materials, College of Materials Science and Engineering, College of Physics and Optoelectronics Engineering, Beijing University of Technology, Beijing, P. R. China.
Advanced Materials (Deerfield Beach, Fla.)
|February 5, 2026
Summary
We developed novel copper(I)-based halide scintillators for X-ray imaging. The ionic compound (4-ATHP)₂CuI₃ exhibits superior light yield and spatial resolution, outperforming commercial screens.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Medical Imaging Physics
Background:
- Copper(I)-based halides are promising X-ray detectors due to high scintillation efficiency and solution processability.
- Understanding the structure-property relationship is crucial for optimizing their performance in X-ray imaging applications.
- Current viability of these materials for practical X-ray imaging remains largely unverified.
Purpose of the Study:
- To investigate the structure-property relationship in copper(I)-based halides for X-ray detection.
- To synthesize and characterize two distinct compounds, ionic (4-ATHP)₂CuI₃ and coordinative (4-ATHP)₄Cu₄I₄, using a bond-mode control strategy.
- To elucidate the photophysical mechanisms governing their scintillation properties and X-ray imaging performance.
Main Methods:
- Synthesis of ionic (4-ATHP)₂CuI₃ and coordinative (4-ATHP)₄Cu₄I₄ from a common amine precursor (4-Aminotetrahydropyran).
- Characterization of crystal structures, photoluminescence properties (excitation-dependent emissions), and scintillation light yields.
- Fabrication of large-area flexible films and integration into a CMOS imager for dynamic X-ray imaging evaluation.
Main Results:
- The ionic (4-ATHP)₂CuI₃ exhibits excitation-dependent dual emissions originating from Cu₂I₆ dimers with varying Cu─Cu bond lengths.
- The coordinative (4-ATHP)₄Cu₄I₄ shows single emission at 635 nm, with the organic component influencing the excited state.
- (4-ATHP)₂CuI₃ achieved a significantly higher light yield (55,923 photons/MeV) compared to (4-ATHP)₄Cu₄I₄ (31,866 photons/MeV).
- A 15 × 20 cm² flexible film of (4-ATHP)₂CuI₃ demonstrated a spatial resolution of 20 lp/mm.
- Integration into a CMOS imager resulted in superior dynamic imaging without afterglow, outperforming commercial CsI:Tl screens.
Conclusions:
- The study deciphers the bond-mode-dependent photophysics of copper(I)-based halides.
- Ionic (4-ATHP)₂CuI₃ is validated as a commercial-grade scintillator with high performance for X-ray imaging.
- This work paves the way for developing advanced, high-performance X-ray imaging materials.
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