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Graphene consists of a single layer of carbon atoms bonded by sp2-hybridization and arranged in a regular hexagonal honeycomb lattice structure (Geim and Novoselov in Nat Mater 6:183, 2007 [1]; Geim and MacDonald in Phys Today 60:35, 2007 [2]). The absence of dangling bonds makes the graphene surface chemically inert to any foreign atoms, which makes it challenging to grow three-dimensional semiconductor materials on its surface by conventional epitaxial methods. One possible solution to this problem is to use Quasi van der Waals epitaxy (Koma in J Cryst Growth 201:236, 1999 [3]). Compared to conventional epitaxy with strong chemical bonding, the bonding mechanism in vdWE is different so that the grown material does not necessarily have to match the graphite substrate lattice and strain-induced interfacial defects do not occur. Due to the increasing research work on the use of graphene as a substrate material for epitaxial growth, it is necessary to study the theoretical calculation of the interface of nitride Quasi van der Waals epitaxy.

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Theoretical Calculations of Quasi van der Waals Epitaxial Interfaces in Two-Dimensional Material-Based Nitrides

  • 章节

  • 发表日期：

    2025年

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  • Tongbo Wei,
  • Zhiqiang Liu,
  • Jinmin Li

摘要

Graphene consists of a single layer of carbon atoms bonded by sp2-hybridization and arranged in a regular hexagonal honeycomb lattice structure (Geim and Novoselov in Nat Mater 6:183, 2007 [1]; Geim and MacDonald in Phys Today 60:35, 2007 [2]). The absence of dangling bonds makes the graphene surface chemically inert to any foreign atoms, which makes it challenging to grow three-dimensional semiconductor materials on its surface by conventional epitaxial methods. One possible solution to this problem is to use Quasi van der Waals epitaxy (Koma in J Cryst Growth 201:236, 1999 [3]). Compared to conventional epitaxy with strong chemical bonding, the bonding mechanism in vdWE is different so that the grown material does not necessarily have to match the graphite substrate lattice and strain-induced interfacial defects do not occur. Due to the increasing research work on the use of graphene as a substrate material for epitaxial growth, it is necessary to study the theoretical calculation of the interface of nitride Quasi van der Waals epitaxy.