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Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue
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SYSNO ASEP 0426983 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue Tvůrce(i) Praus, P. (CZ)
Svoboda, L. (CZ)
Tokarský, J. (CZ)
Hospodková, Alice (FZU-D) RID, ORCID, SAI
Klemm, V. (DE)Zdroj.dok. Applied Surface Science. - : Elsevier - ISSN 0169-4332
Roč. 292, Feb (2014), s. 813-822Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova core/shell nanoparticles ; CdS/ZnS ; molecular modelling ; electron tunnelling ; photocatalysis Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Institucionální podpora FZU-D - RVO:68378271 UT WOS 000330208500113 EID SCOPUS 84893645020 DOI 10.1016/j.apsusc.2013.12.055 Anotace 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. From UV–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. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2015
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