NSF PAR Search | NSF Public Access Repository

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

Coherent Vibrational Dynamics of Au ₁₄₄ (SC ₈ H ₉ ) ₆₀ Nanoclusters

https://doi.org/10.1021/acs.jpclett.3c01477

Jeffries, William R.; Malola, Sami; Tofanelli, Marcus A.; Ackerson, Christopher J.; Häkkinen, Hannu; Knappenberger, Kenneth L. (July 2023, The Journal of Physical Chemistry Letters)

Full Text Available
A topological isomer of the Au ₂₅ (SR) ₁₈ ⁻ nanocluster

https://doi.org/10.1039/D0CC03334K

Matus, María Francisca; Malola, Sami; Kinder Bonilla, Emily; Barngrover, Brian M.; Aikens, Christine M.; Häkkinen, Hannu (July 2020, Chemical Communications)
null (Ed.)
Energetically low-lying structural isomers of the much-studied thiolate-protected gold cluster Au 25 (SR) 18 − are discovered from extensive (80 ns) molecular dynamics (MD) simulations using the reactive molecular force field ReaxFF and confirmed by density functional theory (DFT). A particularly interesting isomer is found, which is topologically connected to the known crystal structure by a low-barrier collective rotation of the icosahedral Au 13 core. The isomerization takes place without breaking of any Au–S bonds. The predicted isomer is essentially iso-energetic with the known Au 25 (SR) 18 − structure, but has a distinctly different optical spectrum. It has a significantly larger collision cross-section as compared to that of the known structure, which suggests it could be detectable in gas phase ion-mobility mass spectrometry.
more » « less
Full Text Available
Chloride Ligands on DNA-Stabilized Silver Nanoclusters

https://doi.org/10.1021/jacs.3c01366

Gonzàlez-Rosell, Anna; Malola, Sami; Guha, Rweetuparna; Arevalos, Nery R.; Matus, María Francisca; Goulet, Meghen E.; Haapaniemi, Esa; Katz, Benjamin B.; Vosch, Tom; Kondo, Jiro; et al (May 2023, Journal of the American Chemical Society)
NHC-Stabilized Au ₁₀ Nanoclusters and Their Conversion to Au ₂₅ Nanoclusters

https://doi.org/10.1021/jacsau.2c00004

Lummis, Paul A.; Osten, Kimberly M.; Levchenko, Tetyana I.; Sabooni Asre Hazer, Maryam; Malola, Sami; Owens-Baird, Bryan; Veinot, Alex J.; Albright, Emily L.; Schatte, Gabriele; Takano, Shinjiro; et al (April 2022, JACS Au)

Search for: All records