On transient absorption and dual emission of the atomically precise, DNA-stabilized silver nanocluster Ag16Cl2
Malola, S., & Häkkinen, H. (2024). On transient absorption and dual emission of the atomically precise, DNA-stabilized silver nanocluster Ag16Cl2. Chemical Communications, 60(24), 3315-3318. https://doi.org/10.1039/d3cc06085c
Julkaistu sarjassa
Chemical CommunicationsPäivämäärä
2024Tekijänoikeudet
© 2024 The Royal Society of Chemistry
DNA-stabilized silver nanoclusters with 10 to 30 silver atoms are interesting biocompatible nanomaterials with intriguing fluorescence properties. However, they are not well understood, since atom-scale high level theoretical calculations have not been possible due to a lack of firm experimental structural information. Here, by using density functional theory (DFT), we study the recently atomically resolved (DNA)2–Ag16Cl2 nanocluster in solvent under the lowest-lying singlet (S1) and triplet (T1) excited states, estimate the relative emission maxima for the allowed (S1 - S0) and dark (T1 - S0) transitions, and evaluate the transient absorption spectra. Our results offer a potential interpretation of the recently reported transient absorption and dual emission of similar DNA-stabilized silver nanoclusters, providing a mechanistic view on their photophysical properties that are attractive for applications in biomedical imaging and biophotonics.
Julkaisija
Royal Society of ChemistryISSN Hae Julkaisufoorumista
1359-7345Asiasanat
Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/207496778
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Suomen AkatemiaRahoitusohjelmat(t)
Akatemiahanke, SALisätietoja rahoituksesta
This work was supported by the Academy of Finland (grant 355083). The computations were made at the Finnish national supercomputing center CSC (computing grant 2002721).Lisenssi
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