4.8 Article

Semiconducting Electronic Property of Graphene Adsorbed on (0001) Surfaces of SiO2

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PHYSICAL REVIEW LETTERS
卷 106, 期 10, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.106.106801

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  1. CREST
  2. Japan Science and Technology Agency
  3. Ministry of Education, Culture, Sports, Science and Technology of Japan

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First-principles total energy calculations are performed to investigate the energetics and electronic structures of graphene adsorbed on both an oxygen-terminated SiO2 (0001) surface and a fully hydroxylated SiO2 (0001) surface. We find that there are several stable adsorption sites for graphene on both O-terminated and hydroxylated SiO2 surfaces. The binding energy in the most stable geometry is found to be 15 meV per C atom, indicating a weak interaction between graphene and SiO2 (0001) surfaces. We also find that the graphene adsorbed on SiO2 is a semiconductor irrespective of the adsorption arrangement due to the variation of on-site energy induced by the SiO2 substrate.

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