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 toimittajatChakraborty, Papri; Malola, Sami; Weis, Patrick; Neumaier, Marco; Karsten Schneider, Erik; Häkkinen, Hannu; Kappes, Manfred M.

Lehti tai sarja Journal of Physical Chemistry Letters

ISSN1948-7185

eISSN1948-7185

Julkaisuvuosi2023

Ilmestymispäivä18.12.2023

Volyymi14

Lehden numero51

Artikkelin sivunumerot11659-11664

KustantajaAmerican Chemical Society (ACS)

JulkaisumaaYhdysvallat (USA)

Julkaisun kielienglanti

DOIhttps://doi.org/10.1021/acs.jpclett.3c02866

Julkaisun avoin saatavuusEi 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-asiasanatnanohiukkasetklusteritdouppaus (puolijohdetekniikka)hopeaelohopea

Vapaat asiasanatcluster structure; defects; defects in solids; mercury; metal clusters


Liittyvät organisaatiot


Hankkeet, joissa julkaisu on tehty


OKM-raportointiKyllä

VIRTA-lähetysvuosi2023

JUFO-taso3


Viimeisin päivitys 2024-12-10 klo 18:45