Carbon nanolayers containing substituted boron atoms – study of electronic properties and structure

Abstract

One of the most likely ways to modify nanoribbons is to replace some of the graphene carbon atoms with their nearest neighbors in the periodic table – boron atoms. This is due to several prerequisites. Firstly, due to the slight difference in the size of the atoms, the introduction of impurities does not cause significant changes in the topology of the nanofilm.
According to the results of the analysis of all studied concentrations of impurity boron atoms in graphene nanofilms, the following can be noted. With an increase in the concentration of impurity boron atoms, the energy gap in the nanofilms increases. However, despite the possibility of a controlled change in this value, all the studied nanofilms by type of conductivity belong to narrow-slit semiconductors. This can be explained by the presence of charge distribution inhomogeneities on the surface of the boron-containing nanofilm, since boron atoms accumulate positive charges near themselves, while the electron density is concentrated at carbon atoms. At the same time, when the equilibrium concentration of boron and carbon atoms is reached, the maximum increase in the values of the energy gap width occurs, which indicates the direct nature of the dependence between the concentration and ΔEg. All this makes it possible to produce two-dimensional photonic crystals based on planar nanostructures with different boron content, which opens up prospects for using such structures in devices for delaying and controlling the radiation field.

The work was carried out within the framework of the state assignment of the Ministry of Science and Higher Education of the Russian Federation (topic “FZUU-2023-0001").

Speaker

Ivan A. Chelnintsev
Volgograd State University
Russia

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