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Initial stage of the epitaxial assembly of graphene from silicon carbide and its simulation by semiemprical quantum chemical methods: Carbon face

Н. И. АлексеевIoffe Physicotechnical Institute, Russian Academy of Sciences, St. Petersburg, 1949021, RussiaВ. В. ЛучининSt. Petersburg Electrotechnical University (LETI), St. Petersburg, 193076, RussiaН. А. ЧарыковSt. Petersburg Electrotechnical University (LETI), St. Petersburg, 193076, Russia
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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 × 2) → (3 × 3) → graphene, are exhibited naturally during the analysis of various paths of graphene assembly and seeking the most probable path.

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Koʻrsatkichlar — AkademScholar · Tez orada