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dc.contributor.authorKovář, Petr
dc.contributor.authorPraus, Petr
dc.contributor.authorPospíšil, Miroslav
dc.contributor.authorDvorský, Richard
dc.date.accessioned2015-03-06T07:59:36Z
dc.date.available2015-03-06T07:59:36Z
dc.date.issued2014
dc.identifier.citationJournal of the Serbian Chemical Society. 2014, vol. 79, issue 12, p. 1545-1559.cs
dc.identifier.issn0352-5139
dc.identifier.urihttp://hdl.handle.net/10084/106666
dc.description.abstractZnS nanoparticles stabilized by cetyltrimethylammonium bromide (CTAB) were modelled in the Materials Studio environment. Four types of models with different distances between ZnS nanoparticles and different amounts of CTA cations without water and in water environment were built and characterized by calculated sublimation energies. The results of molecular modelling without water showed that the most favourable model consisted of two ZnS nanoparticles with a distance of 8-9 nm separated without immersing of CTAs. On the contrary, the most favourable model in water environment was composed of ZnS nanoparticles that nearly touched each other. CTA cations exhibited tendency to be located on the ZnS surface forming sparse covers. Size distributions of ZnS-CTA particles obtained by TEM measurements well agreed with molecular modelling results.cs
dc.format.extent1764772 bytes
dc.format.mimetypeapplication/pdf
dc.language.isoencs
dc.publisherSerbian Chemical Societycs
dc.relation.ispartofseriesJournal of the Serbian Chemical Societycs
dc.relation.urihttp://dx.doi.org/10.2298/JSC131115050Kcs
dc.rights(CC) 2014 SCS. All rights reserved.cs
dc.titleMolecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylammonium bromidecs
dc.typearticlecs
dc.identifier.doi10.2298/JSC131115050K
dc.rights.accessopenAccess
dc.type.versionpublishedVersioncs
dc.type.statusPeer-reviewedcs
dc.description.sourceWeb of Sciencecs
dc.description.volume79cs
dc.description.issue12cs
dc.description.lastpage1559cs
dc.description.firstpage1545cs
dc.identifier.wos000348749400009


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