Size- and shape-dependent energetics of transition-metal nanocrystals

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dc.contributor.authorKilic, Cetin
dc.date.accessioned2025-10-29T11:22:47Z
dc.date.issued2010
dc.departmentFakülteler, Temel Bilimler Fakültesi, Fizik Bölümü
dc.description.abstractFirst-principles calculations have been carried out to obtain the size- and shape-dependent energetics of the nanocrystals made of transition-metal elements Ni, Cu, Rh, Pd, Ag, In, Pt, and Au. A structural parameter characterizing the nanocrystal size and shape has been devised, which is a combination of variables such as the total and surface number of atoms. With the aid of the latter, structure-property relationships have been formulated, interlinking the (first-principles) energetics to (atomistic) structure. (C) 2010 Elsevier Ltd. All rights reserved.
dc.description.sponsorshipTUBITAK [TBAG-109T677]
dc.description.sponsorshipThis work was partially supported by TUBITAK under Grant No. TBAG-109T677.
dc.identifier.doi10.1016/j.ssc.2010.10.005
dc.identifier.endpage2336
dc.identifier.issn0038-1098
dc.identifier.issn1879-2766
dc.identifier.issue47-48
dc.identifier.orcid0000-0003-2690-4940
dc.identifier.scopus2-s2.0-78249239775
dc.identifier.scopusqualityQ2
dc.identifier.startpage2333
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2010.10.005
dc.identifier.urihttps://hdl.handle.net/20.500.14854/9126
dc.identifier.volume150
dc.identifier.wosWOS:000284720300012
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKilic, Cetin
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofSolid State Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20251020
dc.subjectNanostructures
dc.subjectMetals
dc.subjectThermodynamic properties
dc.titleSize- and shape-dependent energetics of transition-metal nanocrystals
dc.typeArticle

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