Site-specific substitution in atomically precise carboranethiol-protected nanoclusters and concomitant changes in electronic properties
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F25%3A00617315" target="_blank" >RIV/61388980:_____/25:00617315 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0364256" target="_blank" >https://hdl.handle.net/11104/0364256</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41467-025-56385-w" target="_blank" >10.1038/s41467-025-56385-w</a>
Alternative languages
Result language
angličtina
Original language name
Site-specific substitution in atomically precise carboranethiol-protected nanoclusters and concomitant changes in electronic properties
Original language description
We report the synthesis of [Ag17(o1-CBT)12]3- abbreviated as Ag17, a stable 8e(-) anionic cluster with a unique Ag@Ag12@Ag4 core-shell structure, where o1-CBT is ortho-carborane-1-thiol. By substituting Ag atoms with Au and/or Cu at specific sites we created isostructural clusters [AuAg16(o1-CBT)12]3- (AuAg16), [Ag13Cu4(o1-CBT)12]3- (Ag13Cu4) and [AuAg12Cu4(o1-CBT)12]3- (AuAg12Cu4). These substitutions make systematic modulation of their structural and electronic properties. We show that Au preferentially occupies the core, while Cu localizes in the tetrahedral shell, influencing stability and structural diversity of the clusters. The band gap expands systematically (2.09 eV for Ag17 to 2.28 eV for AuAg12Cu4), altering optical absorption and emission. Ultrafast optical measurements reveal longer excited-state lifetimes for Cu-containing clusters, highlighting the effect of heteroatom incorporation. These results demonstrate a tunable platform for designing nanoclusters with tailored electronic properties, with implications for optoelectronics and catalysis.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nature Communications
ISSN
2041-1723
e-ISSN
2041-1723
Volume of the periodical
16
Issue of the periodical within the volume
1
Country of publishing house
DE - GERMANY
Number of pages
13
Pages from-to
1197
UT code for WoS article
001414647200017
EID of the result in the Scopus database
2-s2.0-85217623688