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Photoluminescent molecules and nanomaterials have potential applications as active waveguides, but such a use has often been limited by high optical losses and complex fabrication processes. We explored ligand-protected metal nanoclusters (LPMNCs), which can have strong, stable, and tunable emission, as waveguides. Two alloy LPMNCs, PtAg and AuAg (7 ≤ ≤ 9), were synthesized and structurally determined. Crystals of both exhibited excellent optical waveguide performance, with optical loss coefficients of 5.26 × 10 and 7.77 × 10 decibels per micrometer, respectively, lower than those demonstrated by most inorganic, organic, and hybrid materials. The crystal packing and molecular orientation of the PtAg compound led to an extremely high polarization ratio of 0.91. Aggregation enhanced the quantum yields of PtAg and AuAg LPMNCs by 115- and 1.5-fold, respectively. This photonic cluster with low loss and high polarization provides a generalizable and versatile platform for active waveguides and polarizable materials.
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http://dx.doi.org/10.1126/science.adh2365 | DOI Listing |
J Am Chem Soc
September 2025
Institutes of Physical Science and Information Technology, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei 230601, P. R. China.
Organic ligand-protected metal nanoclusters feature ultrasmall size, well-defined compositions, and diverse chiral structures. They have the potential to combine the advantages of asymmetric organocatalysis and nanometal catalysis. The major challenge is designing and synthesizing appropriate metal nanocluster structures for achieving high catalytic activity and excellent enantioselectivity.
View Article and Find Full Text PDFInorg Chem
September 2025
Key Laboratory of Green Chemistry and Technology of Ministry of Education, College of Chemistry, Sichuan University, Chengdu, Sichuan 610065, P. R. China.
Tailoring the electrocatalytic hydrogenation (ECH) performance of silver nanoclusters at the atomic level remains challenging. A mixed-ligand-protected superatomic silver nanocluster, Ag(PNP)(-TBBT) () (PNP= 2,6-bis(diphenylphosphino)pyridine; -TBBT = 4--butylthiophenol), was synthesized, and its structure was determined by single-crystal X-ray diffraction (SCXRD). consisted of a capped icosahedral Ag kernel and accessible Ag(RS) and Ag(RS) motifs.
View Article and Find Full Text PDFJ Phys Chem Lett
August 2025
Department of Chemistry, Anhui University, Hefei 230601, P. R. China.
Noble metal clusters with exceptional photophysical properties are promising luminescent materials, with TD-DFT calculations providing a vital approach to elucidating their luminescence mechanisms. However, the TD-DFT results are highly sensitive to the choice of exchange-correlation functionals, and benchmarking simulated absorption spectra is critical to validate computational methodologies. Since previous empirical screening of functionals is still lacking systematic guidance, this work systematically evaluates functional performance for simulating UV-vis absorption spectra of ligand-protected Au/Ag/Cu/Pt clusters via TD-DFT.
View Article and Find Full Text PDFJ Phys Chem Lett
August 2025
Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics, South China Normal University, Guangzhou 510006, China.
Spin-orbit coupling (SOC) plays a fundamental role in shaping the electronic structures, optical properties, and excited-state dynamics of nanoscale systems. However, in conventional quantum dots (e.g.
View Article and Find Full Text PDFJ Chem Phys
August 2025
School of Chemical Science and Engineering, Shanghai Key Lab of Chemical Assessment and Sustainability, Tongji University, 1239 Siping Road, Shanghai 200092, People's Republic of China.
Gold clusters serve as ideal models for probing chemical bonding theories and their reactions with O2 provide valuable insights into the O2 activation mechanisms on gold-based catalysts. While extensive research has been conducted on pristine gold clusters, investigations into the reactivity of nonmetal-doped gold clusters remain limited. Here, we explore the reactions of AunO- (n = 5-20) with O2 using cluster reaction experiments and density functional theory calculations, and our findings reveal that many AunO- exhibits a structure-activity relationship different from those of pure gold clusters and small gold oxide clusters.
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