A1 Journal article (refereed)
On transient absorption and dual emission of the atomically precise, DNA-stabilized silver nanocluster Ag16Cl2 (2024)

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

JYU authors or editors

Malola, Sami
Häkkinen, Hannu

Publication details

All authors or editors: Malola, Sami; Häkkinen, Hannu

Journal or series: Chemical Communications

ISSN: 1359-7345

eISSN: 1364-548X

Publication year: 2024

Publication date: 26/02/2024

Volume: 60

Issue number: 24

Pages range: 3315-3318

Publisher: Royal Society of Chemistry

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1039/d3cc06085c

Publication open access: Openly available

Publication channel open access: Partially open access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/93909

Abstract

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.

Keywords: nanoparticles; silver; fluorescence; emission (physics)

Fields of science: