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Abstract <p>2D XMoSiN<sub>2</sub> materials of Janus type (X = S, Se or Te) are characterized by high binding energies and a strong built-in electric field, which allows the generated electron–hole pairs to be separated within a&#xa0;single layer. These 2D materials show promise for photovoltaic applications. In this paper, the modeling process is used to examine the grown and optimized small diameter nanotubes based on SMoSiN<sub>2</sub> 2D materials of Janus type. Using calculations within the framework of density functional theory, band structures and optical absorption spectra of such nanotubes with different arrangements of chalcogen were obtained. For the structures under consideration, a wide absorption region of short-wave radiation is observed with a tube deformation of ε = 12.46%. Nanotubes of&#xa0; XMoSiN<sub>2</sub> Janus-type semiconductors behave like semiconductors, whose electronic and optical properties can be controlled by deformation.</p>

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Nanotubes Based on 2D SMoSiN2 Materials of Janus Type for Applications in Nanoelectronics

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • E. V. Morozova,
  • D. A. Timkaeva

摘要

Abstract

2D XMoSiN2 materials of Janus type (X = S, Se or Te) are characterized by high binding energies and a strong built-in electric field, which allows the generated electron–hole pairs to be separated within a single layer. These 2D materials show promise for photovoltaic applications. In this paper, the modeling process is used to examine the grown and optimized small diameter nanotubes based on SMoSiN2 2D materials of Janus type. Using calculations within the framework of density functional theory, band structures and optical absorption spectra of such nanotubes with different arrangements of chalcogen were obtained. For the structures under consideration, a wide absorption region of short-wave radiation is observed with a tube deformation of ε = 12.46%. Nanotubes of  XMoSiN2 Janus-type semiconductors behave like semiconductors, whose electronic and optical properties can be controlled by deformation.