Molecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylammonium bromide

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F14%3A10290898" target="_blank" >RIV/00216208:11320/14:10290898 - isvavai.cz</a>

Alternative codes found

RIV/61989100:27360/14:86093334 RIV/61989100:27710/14:86093334

Result on the web

<a href="http://dx.doi.org/10.2298/JSC131115050K" target="_blank" >http://dx.doi.org/10.2298/JSC131115050K</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2298/JSC131115050K" target="_blank" >10.2298/JSC131115050K</a>

Result language

angličtina

Original language name

Molecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylammonium bromide

Original language description

ZnS nanoparticles stabilized by cetyltrimethylammonium bromide (CTAB) were modelled in the Materials Studio environment. Four types of models with different distances between the ZnS nanoparticles and different amounts of cetyltrimethylammonium (CTA) cations without water and in a water environment were built and characterized by calculation of sublimation energies. The results of the molecular modelling without water showed that the most favourable model consisted of two ZnS nanoparticles with a distance of 8-9 nm separated without immersion of CTAs. On the contrary, the most favourable model in a water environment was composed of ZnS nanoparticles that nearly touched each other. CTA cations exhibited a tendency to be located on the ZnS surface forming sparse covers. The size distributions of the ZnS nanoparticles obtained by transmission electron microscopy (TEM) measurements agreed well with the molecular modelling results.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CI - Industrial chemistry and chemical engineering

OECD FORD branch

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Project

<a href="/en/project/GAP107%2F11%2F1918" target="_blank" >GAP107/11/1918: Research of the zinc and cadmium sulphide nanoparticles deposited on phyllosilicates for the photocatalytic reduction of carbon dioxide</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of the Serbian Chemical Society

ISSN

0352-5139

e-ISSN

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Volume of the periodical

79

Issue of the periodical within the volume

12

Country of publishing house

RS - THE REPUBLIC OF SERBIA

Number of pages

15

Pages from-to

1545-1559

UT code for WoS article

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EID of the result in the Scopus database

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