Počet záznamů: 1  

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

  1. 1. 0426983 - FZU-D 2015 RIV NL eng J - Článek v odborném periodiku
    Praus, P. - Svoboda, L. - Tokarský, J. - Hospodková, Alice - Klemm, V.
    Core/shell CdS/ZnS nanoparticles: Molecular modelling and characterization by photocatalytic decomposition of Methylene Blue.
    Applied Surface Science. Roč. 292, Feb (2014), s. 813-822. ISSN 0169-4332
    Institucionální podpora: RVO:68378271
    Klíčová slova: core/shell nanoparticles * CdS/ZnS * molecular modelling * electron tunnelling * photocatalysis
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.711, rok: 2014

    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.
    Trvalý link: http://hdl.handle.net/11104/0232598