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

doi:10.1039/c1cp20482c

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 journal › Article › peer-review

13 Scopus citations

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 μ_B 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 language	English
Pages (from-to)	16574-16578
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	13
Issue number	37
DOIs	https://doi.org/10.1039/c1cp20482c
State	Published - Oct 7 2011
Externally published	Yes

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title = "Electronic and magnetic properties of C-adsorbed graphene: A first-principles study",

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.",

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T2 - A first-principles study

AU - Zhou, Y. G.

AU - Wang, Z. G.

AU - Yang, P.

AU - Zu, X. T.

AU - Xiao, H. Y.

AU - Sun, X.

AU - Khaleel, M. A.

AU - Gao, F.

PY - 2011/10/7

Y1 - 2011/10/7

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=80052519345&partnerID=8YFLogxK

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DO - 10.1039/c1cp20482c

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VL - 13

SP - 16574

EP - 16578

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 37

ER -

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

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