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dc.contributor.authorChakraborty, Papri
dc.contributor.authorMalola, Sami
dc.contributor.authorWeis, Patrick
dc.contributor.authorNeumaier, Marco
dc.contributor.authorKarsten Schneider, Erik
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorKappes, Manfred M.
dc.date.accessioned2024-02-21T07:41:25Z
dc.date.available2024-02-21T07:41:25Z
dc.date.issued2023
dc.identifier.citationChakraborty, 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. <i> Journal of Physical Chemistry Letters</i>, <i>14</i>(51), 11659-11664. <a href="https://doi.org/10.1021/acs.jpclett.3c02866" target="_blank">https://doi.org/10.1021/acs.jpclett.3c02866</a>
dc.identifier.otherCONVID_197371199
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/93518
dc.description.abstractVacancy 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.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesJournal of Physical Chemistry Letters
dc.rightsIn Copyright
dc.subject.othercluster structure
dc.subject.otherdefects
dc.subject.otherdefects in solids
dc.subject.othermercury
dc.subject.othermetal clusters
dc.titleTailoring Vacancy Defects in Isolated Atomically Precise Silver Clusters through Mercury-Doped Intermediates
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202402211985
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange11659-11664
dc.relation.issn1948-7185
dc.relation.numberinseries51
dc.relation.volume14
dc.type.versionacceptedVersion
dc.rights.copyright© 2023 American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber315549
dc.subject.ysohopea
dc.subject.ysodouppaus (puolijohdetekniikka)
dc.subject.ysonanohiukkaset
dc.subject.ysoklusterit
dc.subject.ysoelohopea
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p7409
jyx.subject.urihttp://www.yso.fi/onto/yso/p38924
jyx.subject.urihttp://www.yso.fi/onto/yso/p23451
jyx.subject.urihttp://www.yso.fi/onto/yso/p18755
jyx.subject.urihttp://www.yso.fi/onto/yso/p14245
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1021/acs.jpclett.3c02866
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramAcademy Programme, AoFen
jyx.fundingprogramAkatemiaohjelma, SAfi
jyx.fundinginformationThis research was supported by DFGunderCRC1441TrackAct, ProjectA2. P.C. gratefully acknowledges postdoc-toral fellowship support by the Alexander von Humboldt Foundation. P.C. also thanks the Karlsruhe Institute of Technology for providing the guest scientist fellowship during the initial stages of the work. H.H. acknowledges support by the Academy of Finland under grant 315549.
dc.type.okmA1


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