• 文献标题:   The Role of Structural Defects in the Growth of Two-Dimensional Diamond from Graphene
  • 文献类型:   Article
  • 作  者:   VARLAMOVA LA, EROHIN SV, SOROKIN PB
  • 作者关键词:   bilayer graphene, diamane, hydrogenation, chemically induced phase transition, defect, grain boundary, dftb
  • 出版物名称:   NANOMATERIALS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.3390/nano12223983
  • 出版年:   2022

▎ 摘  要

The presented work is devoted to the study of the formation of the thinnest diamond film (diamane). We investigate the initial stages of diamond nucleation in imperfect bilayer graphene exposed by the deposition of H atoms (chemically induced phase transition). We show that defects serve as nucleation centers, their hydrogenation is energy favorable and depends on the defect type. Hydrogenation of vacancies facilitates the binding of graphene layers, but the impact wanes already at the second coordination sphere. Defects influence of 5|7 is lower but promotes diamondization. The grain boundary role is similar but can lead to the final formation of a diamond film consisting of chemically connected grains with different surfaces. Interestingly, even hexagonal and cubic two-dimensional diamonds can coexist together in the same film, which suggests the possibility of obtaining a new two-dimensional polycrystal unexplored before.