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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/61989100:27740/14:86091975 RIV/61989100:27360/14:86091975 RIV/61989100:27710/14:86091975 RIV/61989100:27640/14:86091975

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Applied Surface Science

ISSN

0169-4332

e-ISSN

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Svazek periodika

292

Číslo periodika v rámci svazku

Feb

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

813-822

Kód UT WoS článku

000330208500113

EID výsledku v databázi Scopus

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