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Interplay of kernel shape and surface structure for NIR luminescence in atomically precise gold nanorods
Xian-Kai Wan1,2, Xu-Shuang Han1, Zong-Jie Guan1
1Department of Chemistry, Key Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing, PR China.
Nature Communications
|August 22, 2024
Summary
Synthesized a novel rod-shaped gold nanocluster ([Au28(p-MBT)14(Hdppa)3](SO3CF3)2) exhibiting strong near-infrared (NIR) luminescence. This discovery highlights the importance of both metal kernel and surface structure for advanced NIR emissive materials.
Area of Science:
- Materials Science
- Nanotechnology
- Photochemistry
Background:
- Achieving strong near-infrared (NIR) emission from gold nanoclusters remains a significant challenge in materials science.
- Existing gold nanoclusters often suffer from low photoluminescence quantum yields (PLQYs) in the NIR region.
Purpose of the Study:
- To synthesize and characterize a novel gold nanocluster with enhanced NIR luminescence properties.
- To investigate the structural factors contributing to the NIR emission in gold nanoclusters.
Main Methods:
- Synthesis of a rod-shaped gold nanocluster: [Au28(p-MBT)14(Hdppa)3](SO3CF3)2.
- Single crystal X-ray structural analysis to determine the precise atomic arrangement.
- Photoluminescence spectroscopy to measure emission spectra and quantum yields.
- Time-dependent Density Functional Theory (TDDFT) calculations to understand luminescence mechanisms.
Main Results:
- A rod-shaped gold nanocluster ([Au28(p-MBT)14(Hdppa)3](SO3CF3)2) was successfully synthesized.
- The cluster exhibits strong NIR luminescence with an emission maximum at 920 nm and a PLQY of 12%, significantly outperforming previously reported similar clusters.
- Structural analysis revealed a rod-like face-centered cubic (fcc) Au22 kernel, and TDDFT calculations linked the luminescence to this kernel.
- The emission is a blend of phosphorescence and thermally activated delayed fluorescence (TADF), with enhanced radiative decay rates (k_r) primarily responsible for the improved NIR emission.
Conclusions:
- The metal kernel and surface ligand structure are critical determinants for achieving potent NIR luminescence in gold nanoclusters.
- The synthesized gold nanocluster represents a promising material for applications requiring strong NIR emission.
- Understanding the interplay between structure and electronic properties is key to designing next-generation NIR emissive nanomaterials.
