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Information × Registration Number 0213U000317, 0111U000105 , R & D reports Title Study of novel carbon materials for micro- and nanoelectronics, alternative energy sovices and solid state sensors. popup.stage_title Head Yanovsky Olexandr, Registration Date 31-01-2013 Organization Zaporozhye National University popup.description2 The object of study - physical and chemical processes on the surface and in the subsurface layers of carbon and semiconductor materials and: diamond surface (100) and silicon (100), graphene nanografite. The subject of study - nano-graphites, graphenes and graphanes, diamond and diamond thin film silicon surface. The goal of the work - experimental and theoretical study of the physical and chemical properties of the surface and subsurface layers of diamond, nano-graphite, graphene, graphane and other carbon materials in order to establish the relationship between their structural, electronic, and adsorption characteristics, which will later allow to use these materials in micro-and nanoelectronics, alternative sources of energy (fuel) and solid-state sensors. The following theoretical and experimental methods were chosen: semi-empirical methods MNDO, AM1 and PM3 of МОРАС software package, ab-initio Hartree-Fock of GAMESS software package, scanning electron microscopy, Auger electron analysis, vacuum equipmenst. The work presents results of quantum-chemical simulation of nanographites, nanographenes and nanodiamonds clusters, the diamond (100) surfaces, the interaction of atomic hydrogen with clean and monohydride diamond surface (100) and graphene, electronic and geometric characteristics of the B-Hx, N-V complex introduced in the crystal lattice; calculations of the changes in the electronic spectrum of "graphene-adsorbate" system in order to establish the characteristic lines in the absorption spectra for the identification of the adsorbate. The values of the interaction energy between planes and the distance between planes in nanographite as a function of number of carbon atoms in the layer and the presence of point defects have been estimated. It was found that nano-graphite clusters without point defects and with small number of atoms in the layer (up to 40) are not stable. It is shown that hydrogen adsorption on graphene occurs by "island" mechanism. The hydrogen - graphene binding energies of and their dependence on the hydrogen surface coverage were calculated. It was found out that the "homo-lumo" energy gap for nano-graphene depends on the number of carbon atoms in the cluster and the type of chemisorbed molecule. This feature of the graphene electronic spectrum is described by formula and can be used for a gas sensor development. Formation dihydride states on the C (100) surface have some peculiarities due to the small distance between hydrogen atoms in dihydride complexes. A method of formation of metal nanostructures of different size and topology on non-metal surfaces has been developed. Results are introduced in the scientific and educational center "Physics and Chemistry of Nanostructures" at TISNCM (Troitsk, Russia), at JSC "Zaporzhstekloflyus" and LLC "Element-Converter." Possible application of the results - micro-and nanoelectronics, energy generation, instrumentation, heterogeneous catalysis. Product Description popup.authors Ананьїна Ольга Юріївна Северина Любов Миколаївна Яновський Олександр Сергійович popup.nrat_date 2020-04-02 Close