• 文献标题:   Initial Stage of the Epitaxial Assembly of Graphene from Silicon Carbide and Its Simulation by Semiemprical Quantum Chemical Methods: Carbon Face
  • 文献类型:   Article
  • 作  者:   ALEKSEEV NI, LUCHININ VV, CHARYKOV NA
  • 作者关键词:   graphene, silicon carbide, quantum chemistry, epitaxial assembling, simulation
  • 出版物名称:   RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • ISSN:   0036-0244
  • 通讯作者地址:   St Petersburg Electrotech Univ LETI
  • 被引频次:   1
  • DOI:   10.1134/S0036024413100038
  • 出版年:   2013

▎ 摘  要

The epitaxial growth of graphene on a singular carbon face of silicon carbide is simulated by semiempirical quantum chemical methods. It is shown that the main regularities of the growth of graphene on such a face, i.e., the sequence of surface reconstructions with a short spatial period (2 x 2) -> (3 x 3) -> graphene, are exhibited naturally during the analysis of various paths of graphene assembly and seeking the most probable path.