A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Tailoring Vacancy Defects in Isolated Atomically Precise Silver Clusters through Mercury-Doped Intermediates (2023)

Chakraborty, P., Malola, S., Weis, P., Neumaier, M., Karsten Schneider, E., Häkkinen, H., & Kappes, M. M. (2023). Tailoring Vacancy Defects in Isolated Atomically Precise Silver Clusters through Mercury-Doped Intermediates. Journal of Physical Chemistry Letters, 14(51), 11659-11664. https://doi.org/10.1021/acs.jpclett.3c02866

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Chakraborty, Papri; Malola, Sami; Weis, Patrick; Neumaier, Marco; Karsten Schneider, Erik; Häkkinen, Hannu; Kappes, Manfred M.

Lehti tai sarja:  Journal of Physical Chemistry Letters

ISSN: 1948-7185

eISSN: 1948-7185

Julkaisuvuosi: 2023

Ilmestymispäivä: 18.12.2023

Volyymi: 14

Lehden numero: 51

Artikkelin sivunumerot: 11659-11664

Kustantaja: American Chemical Society (ACS)

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

DOI: https://doi.org/10.1021/acs.jpclett.3c02866

Julkaisun avoin saatavuus: Ei avoin

Julkaisukanavan avoin saatavuus: 

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/93518

Tiivistelmä

Vacancy defects are known to have significant effects on the physical and chemical properties of nanomaterials. However, the formation and structural dynamics of vacancy defects in atomically precise coinage metal clusters have hardly been explored due to the challenges associated with isolation of such defected clusters. Herein, we isolate [Ag28(BDT)12]2– (BDT is 1,3-benzenedithiol), a cluster with a “missing atom” site compared to [Ag29(BDT)12]3–, whose precise structure is known from X-ray diffraction. [Ag28(BDT)12]2– was formed in the gas-phase by collisional heating of [Ag28Hg(BDT)12]2–, a Hg-doped analogue of the parent cluster. The structural changes resulting from the loss of the Hg heteroatom were investigated by trapped ion mobility mass spectrometry. Density functional theory calculations were performed to provide further insights into the defect structures, and molecular dynamics simulations revealed defect site-dependent structural relaxation processes.

YSO-asiasanat: nanohiukkaset; klusterit; douppaus (puolijohdetekniikka); hopea; elohopea

Vapaat asiasanat: cluster structure; defects; defects in solids; mercury; metal clusters

Liittyvät organisaatiot

Hankkeet, joissa julkaisu on tehty

OKM-raportointi: Kyllä

Raportointivuosi: 2023

JUFO-taso: 3