Electronic and magnetic properties of C-adsorbed graphene: A first-principles study

Y. G. Zhou, Z. G. Wang, P. Yang, X. T. Zu, H. Y. Xiao, X. Sun, M. A. Khaleel, F. Gao

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11 Citations (Scopus)

Abstract

Using density functional theory, we consider the adsorption of C on graphene, which gives rise to many interesting phenomena. A single-C at the bridge site shows a clearly covalent-bond feature with graphene, in which the metallic state occurs and a magnetic moment of 0.36 μB was determined. For both-sided adsorption, the magnetic moment is remarkably larger than that in one-sided adsorption, and increases with concentration up to a coverage of 12.5%. High spin polarization obtained at the Fermi level indicates a high degree of passage of preferred spin, which is important for developing spin filters.

Original languageEnglish
Pages (from-to)16574-16578
Number of pages5
JournalPhysical Chemistry Chemical Physics
Volume13
Issue number37
DOIs
Publication statusPublished - 7 Oct 2011

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Zhou, Y. G., Wang, Z. G., Yang, P., Zu, X. T., Xiao, H. Y., Sun, X., Khaleel, M. A., & Gao, F. (2011). Electronic and magnetic properties of C-adsorbed graphene: A first-principles study. Physical Chemistry Chemical Physics, 13(37), 16574-16578. https://doi.org/10.1039/c1cp20482c