A1 Journal article (refereed)
Thermally activated delayed fluorescence Au‐Ag‐oxo nanoclusters : From photoluminescence to radioluminescence (2024)

Yuan, P., Zhang, H., Zhou, Y., He, T., Malola, S., Gutiérrez‐Arzaluz, L., Li, Y., Deng, G., Dong, C., Huang, R., Song, X., Teo, B. K., Mohammed, O. F., Häkkinen, H., Bakr, O. M., & Zheng, N. (2024). Thermally activated delayed fluorescence Au‐Ag‐oxo nanoclusters : From photoluminescence to radioluminescence. Aggregate, Early View. https://doi.org/10.1002/agt2.475

JYU authors or editors

Publication details

All authors or editorsYuan, Peng; Zhang, Hansong; Zhou, Yang; He, Tengyue; Malola, Sami; Gutiérrez‐Arzaluz, Luis; Li, Yingwei; Deng, Guocheng; Dong, Chunwei; Huang, Renwu; et al.

Journal or seriesAggregate



Publication year2024

Publication date04/01/2024

VolumeEarly View

PublisherJohn Wiley & Sons

Publication countryUnited States

Publication languageEnglish


Publication open accessOpenly available

Publication channel open access

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/92777


Thermally activated delayed fluorescence (TADF) materials have numerous applications in energy conversion and luminescent imaging. However, they are typically achieved as metal-organic complexes or pure organic molecules. Herein, we report the largest Au-Ag-oxo nanoclusters to date, Au18Ag26(R1COO)12(R2C≡C)24(μ4-O)2(μ3-O)2 (Au18Ag26, where R1 = CH3-, Ph-, CHOPh- or CF3Ph-; R2 = Ph- or FPh-). These nanoclusters exhibit exceptional TADF properties, including a small S1-T1 energy gap of 55.5 meV, a high absolute photoluminescence quantum yield of 86.7%, and a microseconds TADF decay time of 1.6 μs at ambient temperature. Meanwhile, Au18Ag26 shows outstanding stability against oxygen quenching and ambient conditions. Atomic level analysis reveals the strong π⋯π and C-H⋯π interactions from the aromatic alkynyl ligands and the enhancement of metal-oxygen-metal interactions by centrally coordinated O2−. Modeling of the electronic structure shows spatially separated highest occupied molecular orbital and lowest unoccupied molecular orbital, which promote charge transfer from the ligand shell, predominantly carboxylate ligands, to O2−-embedded metal core. Furthermore, TADF Au-Ag-oxo nanoclusters exhibit promising radioluminescence properties, which we demonstrate for X-ray imaging. Our work paves the way for the design of TADF materials based on large metal nanoclusters for light-emission and radioluminescence applications.

Keywordsluminescencephotoluminescencex-ray examinationfluorescence

Free keywordsAu-Ag-oxo nanoclusters; photoluminescence; radioluminescence; TADF; X-ray imaging

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Ministry reportingYes

Reporting Year2024

Preliminary JUFO rating0

Last updated on 2024-13-05 at 18:25