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- 저자 : Kvashnin, A. G. (검색결과 2 건)
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Novel hybrid C/BN two-dimensional heterostructures
Kvashnin, Dmitry G,Kvashnina, Olga P,Avramov, Pavel V,Sorokin, Pavel B,Kvashnin, Alexander G IOP 2017 Nanotechnology Vol.28 No.8
<P>Here we present an investigation of new quasi-two-dimensional heterostructures based on the alternation of bounded carbon and boron nitride layers (C/BN). We carried out a theoretical study of the atomic structure, stability and electronic properties of the proposed heterostructures. Such ultrathin quasi-two-dimensional C/BN films can be synthesized by means of chemically induced phase transition by connection of the layers of multilayered h-BN/graphene van der Waals heterostructures, which is indicated by the negative phase transition pressure in the calculated phase diagrams (<I>P</I>, <I>T</I>) of the films. It was shown that the band gap value of the C/BN films spans the infrared and visible spectrum. We hope that the proposed films and fabrication method can be considered as a possible route to obtain nanostructures with a controllable band gap in wide energy range. This makes these materials potentially suitable for a variety of applications, including photovoltaics, photoelectronics and more.</P>
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Kvashnin, A. G.,Avramov, P. V.,Kvashnin, D. G.,Chernozatonskii, L. A.,Sorokin, P. B. American Chemical Society 2017 The Journal of Physical Chemistry Part C Vol.121 No.51
<P>Electronic, elastic, and electromechanical properties of the quasi-two-dimensional diamond films of cubic and hexagonal symmetry with fluorinated surfaces were studied using electronic band structure calculations in the framework of density functional theory Perdew–Burke–Ernzerhof and self-consistent GW methods. Predicted two-dimensional elastic constants and acoustic velocities of the films coincide well with available experimental data. It was found that both methods predict drastically different dependencies of the band gaps, electromechanical responses, and charge carrier effective masses upon the films’ thicknesses.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jpccck/2017/jpccck.2017.121.issue-51/acs.jpcc.7b07946/production/images/medium/jp-2017-07946z_0005.gif'></P>
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