Thermally induced morphological and structural transitions of zinc blende CdSe hollow nanoparticles studied by molecular dynamics simulation

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dc.authorscopusid57217920844
dc.contributor.authorSenturk Dalgic S.
dc.date.accessioned2024-06-12T10:26:21Z
dc.date.available2024-06-12T10:26:21Z
dc.date.issued2018
dc.description6th International Conference on Nanostructures, Nanomaterials and Nanoengineering, ICNNN 2017 and 2nd International Conference on Materials Technology and Applications, ICMTA 2017 -- 26 October 2017 through 29 October 2017 -- -- 212509en_US
dc.description.abstractThe morphological and structural transitions in CdSe hollow nanoparticles (hNPs) with zinc blende structure have studied by molecular dynamics (MD) simulation method under heating. The seven samples of CdSe-hNPs are constructed with different thicknesses from the solid NPs at 10nm and 15nm sizes. Morphological changes in CdSe-hNPs have presented by describing the first stage melting in hollow semiconductor NPs. The thermal effect on the atomic arrangement has also examined by the cubic zinc blende-to-wurtzite transformation occurred during the melting in hNPs. MD results show that the inner shells of those with thin walls have begun to melt at lower temperatures due to the thickness of the NPs. The first stage melting, which resulted in the filling of the void within the particle, takes place almost at the same temperature for hNPs with the thick wall thickness. Then, the melting of the particles is completed at higher temperatures. The cubic diamond structure disappears with the collapse of the inner cavity, and the hcp structure begins to appear at later temperatures. © 2018 Trans Tech Publications, Switzerland.en_US
dc.identifier.doi10.4028/www.scientific.net/MSF.916.60
dc.identifier.endpage68en_US
dc.identifier.isbn9.78304E+12
dc.identifier.issn0255-5476
dc.identifier.scopus2-s2.0-85045346189en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage60en_US
dc.identifier.urihttps://doi.org/10.4028/www.scientific.net/MSF.916.60
dc.identifier.urihttps://hdl.handle.net/20.500.14551/16788
dc.identifier.volume916 MSFen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTrans Tech Publications Ltden_US
dc.relation.ispartofMaterials Science Forumen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAtomic Structure; Cdse; Hollow Nanoparticles; Molecular Dynamics Simulation; Structural Propertyen_US
dc.subjectCrystal Atomic Structure; Ii-Vi Semiconductors; Melting; Molecular Dynamics; Nanoparticles; Selenium Compounds; Structural Properties; Zinc; Zinc Sulfide; Atomic Arrangement; Cdse; Hollow Nanoparticles; Lower Temperatures; Molecular Dynamics Simulations; Morphological Changes; Structural Transitions; Zinc-Blende Structures; Cadmium Compoundsen_US
dc.titleThermally induced morphological and structural transitions of zinc blende CdSe hollow nanoparticles studied by molecular dynamics simulationen_US
dc.typeConference Objecten_US

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