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

Research output: Contribution to journalArticle

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
Externally publishedYes

Fingerprint

Graphite
Electronic properties
Adsorption
Magnetic properties
graphene
magnetic properties
Magnetic moments
adsorption
magnetic moments
electronics
Spin polarization
Covalent bonds
covalent bonds
Fermi level
Density functional theory
density functional theory
filters
polarization

ASJC Scopus subject areas

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

Cite this

Zhou, Y. G., Wang, Z. G., Yang, P., Zu, X. T., Xiao, H. Y., Sun, X., ... 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

Electronic and magnetic properties of C-adsorbed graphene : A first-principles study. / Zhou, Y. G.; Wang, Z. G.; Yang, P.; Zu, X. T.; Xiao, H. Y.; Sun, X.; Khaleel, M. A.; Gao, F.

In: Physical Chemistry Chemical Physics, Vol. 13, No. 37, 07.10.2011, p. 16574-16578.

Research output: Contribution to journalArticle

Zhou, YG, Wang, ZG, Yang, P, Zu, XT, Xiao, HY, Sun, X, Khaleel, MA & Gao, F 2011, 'Electronic and magnetic properties of C-adsorbed graphene: A first-principles study', Physical Chemistry Chemical Physics, vol. 13, no. 37, pp. 16574-16578. https://doi.org/10.1039/c1cp20482c
Zhou, Y. G. ; Wang, Z. G. ; Yang, P. ; Zu, X. T. ; Xiao, H. Y. ; Sun, X. ; Khaleel, M. A. ; Gao, F. / Electronic and magnetic properties of C-adsorbed graphene : A first-principles study. In: Physical Chemistry Chemical Physics. 2011 ; Vol. 13, No. 37. pp. 16574-16578.
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