Kakorina O.A., Boroznin S.V., Panchenko T.F., Strekozova O.O., Zakharchenko A.A. Doping of Gas Atoms into Boron-Carbon Nanotubes
DOPING OF GAS ATOMS INTO BORON-CARBON NANOTUBES
Olesya Aleksandrovna Kakorina
Candidate of Physical and Mathematical Sciences, Associate Professor,
Department of Forensic Science and Physical Materials Science,
Volgograd State University
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Pros. Universitetsky, 100, 400062 Volgograd, Russian Federation
Sergey Vladimirovich Boroznin
Candidate of Physical and Mathematical Sciences, Associate Professor,
Department of Forensic Science and Physical Materials Science,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Tatyana Fedorovna Panchenko
Teacher of Chemistry and Biology,
Buzinovskaya Secondary School
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Shkolnaya St., 1, 404544 Buzynovka Hamlet, Kalachevsky District, Volgograd Region, Russian Federation
Oksana Olegovna Strekozova
Master Student,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Aleksandr Aleksandrovich Zakharchenko
Candidate of Physical and Mathematical Sciences,
Associate Professor, Department of Semiconductors and Microelectronics,
Voronezh State University
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Universitetskaya Sq., 1, 394018 Voronezh, Russian Federation
Abstract. Today the researchers focus on the boron nanostructures due to their unique physical and chemical properties. The boron is applied as the additive in obtaining corrosion-resistant and heat-resistant alloys. Its connections – nitride BN and others – are used as semiconductor materials and dielectrics. Boron atoms can be connected in chains, meshes, frameworks and other forms. Therefore, over the last decade a lot of researchers have turned their attention to various geometric and topological configuration of boron (boron clusters and boron nanofibers, boranes). In this paper we consider two methods of filling nanotubes with boron atoms of the gaseous medium: the method of percolation and capillary method. To study the seeding process, boron nanotube of special type was selected. We use the model of molecular cluster in the framework of quantum-chemical MNDO scheme as the main design scheme. We study the adsorption process in the structure of the unit cell, which consists of 95 boron atoms and five layers of hexagons in the direction of the longitudinal axis of the tube and six hexagons on its circumference. At the end of the tube uncompensated connection was closed by pseudoatoms, which made the hydrogen atom. The research performed have proved the possibility and efficiency of process of filling nanotubes of boron with atoms of the gaseous medium, which opens up interesting prospects for the use of intercalated tubes and the creation of new devices based on them.
Key words: boron carbon nanotubes, capillary method, quantum chemical calculations, surface profile of potential energy, gas-phase nanocomposites, chlorination, oxidation.
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