Abstract

The preparation and study of new bifunctional (Y0.9Ln0.1VO4/Fe3O4)@SiO2 and [(Y0.9Ln0.1VO4@SiO2)/Fe3O4@SiO2] samples with Ln = Nd or Tb is described in detail. The influence of Fe3O4 content and silica coating on Y0.9Ln0.1VO4@SiO2 samples is analyzed to decide on their potential utility. Materials of this type are currently of great interest in the biomedicine field based on their potential use as bifunctional materials. On the one hand, because they can be directed using an external magnetic field and, on the other, because they can allow the visualization of diseased cells after appropriate functionalization. Y0.9Ln0.1VO4 samples with Ln = Nd or Tb were prepared by a hydrothermal process, while Fe3O4 sample was prepared by the coprecipitation method. These samples and different mixtures of them were treated with tetraethyl orthosilicate (TEOS) to proceed with their silica coating. All diffraction maxima of Y0.9Ln0.1VO4 samples were indexed on a tetragonal symmetry of space group I41/amd, compatible with a zircon structure-type. In the case of Fe3O4 sample, all reflections were indexed to a cubic symmetry of space group Fd 3‾ m, characteristic of an inverse spinel structure-type. These results also agreed well with the FTIR spectra of the investigated samples. For the first time, the experimental FTIR study of Y0.9Ln0.1VO4 samples was complemented with a theoretical vibrational study based on the YVO4 structure. To carry out this theoretical study, different density functional theory (DFT) methods and different basis sets were used. Silica presence in samples was clearly verified in both, the XRD profiles and the FTIR spectra. Elongated and spherical particles are found in TEM images of these samples. The study of PL emission and magnetic behavior showed that [(Y0.9Ln0.1VO4@SiO2)/Fe3O4@SiO2] samples are the most suitable for use as bifunctional materials.

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