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Creation of Gold Nanoparticles in ZnO by Ion Implantation-DFT and Experimental Studies

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    0538371 - ÚJF 2021 RIV CH eng J - Journal Article
    Cajzl, J. - Jeníčková, K. - Nekvindová, P. - Michalcová, A. - Veselý, M. - Macková, Anna - Malinský, Petr - Jagerová, Adéla - Mikšová, Romana - Akhmadaliev, S.
    Creation of Gold Nanoparticles in ZnO by Ion Implantation-DFT and Experimental Studies.
    Nanomaterials. Roč. 10, č. 12 (2020), č. článku 2392. E-ISSN 2079-4991
    R&D Projects: GA MŠk EF16_013/0001812; GA ČR GA18-03346S
    Institutional support: RVO:61389005
    Keywords : gold * ZnO * nanoparticles * ion implantation * luminescence * DFT * RBS
    Subject RIV: JJ - Other Materials
    OECD category: Nano-materials (production and properties)
    Impact factor: 5.076, year: 2020
    Method of publishing: Open access

    Three different crystallographic orientations of the wurtzite ZnO structure (labeled as c-plane, a-plane and m-plane) were implanted with Au+ ions using various energies and fluences to form gold nanoparticles (GNPs). The ion implantation process was followed by annealing at 600 degrees C in an oxygen atmosphere to decrease the number of unwanted defects and improve luminescence properties. With regard to our previous publications, the paper provides a summary of theoretical and experimental results, i.e., both DFT and FLUX simulations, as well as experimental results from TEM, HRTEM, RBS, RBS/C, Raman spectroscopy and photoluminescence. From the results, it follows that in the ZnO structure, implanted gold atoms are located in random interstitial positions -experimentally, the amount of interstitial gold atoms increased with increasing ion implantation fluence. During ion implantation and subsequent annealing, the metal clusters and nanoparticles with sizes from 2 to 20 nm were formed. The crystal structure of the resulting gold was not cubic (confirmed by diffraction patterns), but it had a hexagonal close-packed (hcp) arrangement. The ion implantation of gold leads to the creation of Zn and O interstitial defects and extended defects with distinct character in various crystallographic cuts of ZnO, where significant O-sublattice disordering occurred in m-plane ZnO.
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