Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F14%3A00426983" target="_blank" >RIV/68378271:_____/14:00426983 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/14:86091975 RIV/61989100:27360/14:86091975 RIV/61989100:27710/14:86091975 RIV/61989100:27640/14:86091975
Result on the web
<a href="http://dx.doi.org/10.1016/j.apsusc.2013.12.055" target="_blank" >http://dx.doi.org/10.1016/j.apsusc.2013.12.055</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.apsusc.2013.12.055" target="_blank" >10.1016/j.apsusc.2013.12.055</a>

Result language
angličtina
Original language name
Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue
Original language description
Core/shell CdS/ZnS nanoparticles were modelled in the Material Studio environment and synthesized by one-pot procedure. The core CdS radius size and thickness of the ZnS shell composed of 1?3 ZnS monolayers were predicted from the molecular models. FromUV?vis absorption spectra of the CdS/ZnS colloid dispersions transition energies of CdS and ZnS nanostructures were calculated. The transitions energies were used for calculation of the CdS core radius by the Schrödinger equation. Both the relaxation strain in ZnS shells and the size of the CdS core radius were predicted bythe molecular modelling.The ZnS shell thickness and a degree of the CdS core coverage were characterized by the photocatalytic decomposition of Methylene Blue using CdS/ZnS nanoparticles as photocatalysts. Regression results revealed that 86% of the CdS core surface wascovered with ZnS and the average thickness of ZnS shell was about 12% higher than that predicted by molecular modelling.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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