Application of Nanoparticles with the Structure of the Metal Nucleus - Carbon Enclosure in Biology and Medicine

The study was carried out with the financial support of the Russian Foundation for Basic Research in the framework of the research project No. 18-33-00785

Atomic, electronic and magnetic structure of graphene/iron and nickel interfaces: theory and experiment

First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms of the metallic substrates. The coverage of the iron surface by mono- and few-layer graphene induces significant changes in the orbital occupancies and exchange interactions between the layers in contrast to the case of a nickel substrate for which changes in the orbital ordering and exchange interactions are much smaller. Experimental measurements demonstrate the presence of ferromagnetic fcc-iron in Fe@C nanoparticles and the superparamagnetic behavior of Ni@C nanoparticles.Comment: 19 pages, 7 figures, accepted to RSC Advance

Dimerization and low-dimensional magnetism in nanocrystalline TiO2 semiconductors doped by Fe and Co

The report is devoted to an analysis of the structural and magnetic state of the nanocrystalline diluted magnetic semiconductors based on TiO2 doped with Fe and Co atoms. Structural and magnetic characterization of samples was carried out using X-ray diffraction (XRD) analysis, transmission electron microscopy (TEM), X-ray absorption spectroscopy (XAS), electron paramagnetic resonance (EPR) spectroscopy, SQUID magnetometry, and the density functional theory (DFT) calculations. Analysis of the experimental data suggests the presence of non-interacting paramagnetic Fe3+ and Co2+ ions in the high-spin state and negative exchange interactions between them. The important conclusions is that the distribution of dopants in the TiO2 matrix, even at low concentrations of 3d-metal dopant (less than one percent), is not random, but the 3d ions localization and dimerization is observed both on the surface and in the nanoparticles core. Thus, in the paper the quantum mechanical model for describing the magnetic properties of TiO2:(Fe, Co) was suggested. The model operates only with two parameters: paramagnetic contribution of non-interacting 3d-ions and dimers having different exchange interactions between 3d magnetic carriers. © Published under licence by IOP Publishing Ltd

Optical Properties of Oxide Magnetic ZnO, Zn0.95Mn0.05O and Cu2O Nanopowders

ZnO, Zn0.95Mn0.05O and Cu2O nanocrystals are synthesized. Excitonic lines in absorption spectra of these materials are detected. In photoluminescence and photoluminescence excitation spectra of Zn0.95Mn0.05O the dangling bond hybrid (DBH) state is found. It has splitted out from the top of the valence band due to the hybridization between d-states of the Mn impurity and the p-states of oxygen. © 2009 Elsevier B.V. All rights reserved.The work was performed with the partial support of the Russian Foundation for Basic Research (Grants nos. 07-02-00910_a and 08-02-99080 r- ofi)

Carbon-Coated Nickel Nanoparticles: Effect on the Magnetic and Electric Properties of Composite Materials

Nickel nanoparticles coated with few layers of carbon have been embedded into the polydimethylsiloxane (PDMS) matrix in concentrations up to 11 vol %. Dielectric and magnetic properties of composite materials have been studied in wide frequency (20 Hz–1 MHz) and temperature (130–430 K) ranges. It was demonstrated that the temperature behavior of dielectric properties is determined by glass transitions in the PDSM matrix below 200 K and the Maxwell–Wagner relaxation above room temperature. The possibility of using fabricated composites on the basis of the PDMS matrix for producing a wide range of passive electromagnetic components, such as frequency-selective filters, wide-band detectors/sensors of a bolometric type, and even electromagnetic “black holes” is also discussed

Carbon States in Carbon-Encapsulated Nickel Nanoparticles Studied by Means of X-Ray Absorption, Emission, and Photoelectron Spectroscopies

Electronic structure of nickel nanoparticles encapsulated in carbon was characterized by photoelectron, X-ray absorption, and X-ray emission spectroscopies. Experimental spectra are compared with the density of states calculated in the frame of the density functional theory. The carbon shell of Ni nanoparticles has been found to be multilayer graphene with significant (about 6%) amount of Stone--Wales defects. Results of the experiments evidence protection of the metallic nanoparticles from the environmental degradation by providing a barrier against oxidation at least for two years. Exposure in air for 2 years leads to oxidation only of the carbon shell of Ni@C nanoparticles with coverage of functional groups.Comment: 16 pages, 6 figures, accepted in J. Phys. Chem.