STUDY OF PROTON MIGRATION ON THE SURFACE
OF TWO-DIMENSIONAL BORON CARBON-NITRIDE
Evgeniya V. Boroznina
Candidate of Sciences (Physics and Mathematics), Associate Professor,
Department of Forensic Examination and Physical Materials Science,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Aleksandr V. Shkodin
Student, Department of Forensic Science and Physical Materials Science,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Anastasiya V. Zimina
Student, Department of Forensic Science and Physical Materials Science,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Mikhail B. Belonenko
Doctor of Sciences (Physics and Mathematics), Professor,
Department of Forensic Examination and Physical Materials Science,
Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
Abstract. One of the specific electrical properties of hexagonal two-dimensional boron carbon nitride (h-BCN) is proton conductivity, which solid electrolytes possess. Proton conductors are widely used as components of electrochemical devices such as gas sensors, electrolyzers, fuel cell membranes, etc. A key feature of the h-BCN layer is that it actually consists of a mixture of C-C carbon bonds and B-N boron nitride bonds. This makes it possible to change the conductive properties of the material by changing the concentration of the B-N bonds, which makes this material one of the most attractive to study at the moment. The adsorption of atomic hydrogen on the surface of a two-dimensional BCN layer is studied using density functional theory. The migration process of a single proton along the surface of a two-dimensional BCN layer has been studied, and the most probable path of its movement has been established. The density of states of a BCN layer with a proton on the surface is estimated. It is proved that the two-dimensional BCN layer is a promising material for using it as a functional element of devices with conductivity.
Key words: two-dimensional materials, proton conductivity, adsorption, proton migration, nanomaterials, density functional theory.
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