Issue 37, 2011
From the journal:

Physical Chemistry Chemical Physics

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

Y. G. Zhou,ab   Z. G. Wang,a   P. Yang,b   X. T. Zu,*a   H. Y. Xiao,a   X. Sun,b   M. A. Khaleelb  and  F. Gao*b  

* Corresponding authors

a Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, P.R. China
E-mail: xtzu@uestc.edu.cn

b Pacific Northwest National Laboratory, MS K8-93, P.O. Box 999, Richland, USA
E-mail: fei.gao@pnl.gov

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.

Graphical abstract: Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

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Article information

DOI
https://doi.org/10.1039/C1CP20482C
Article type
Paper
Submitted
23 Feb 2011
Accepted
20 Jun 2011
First published
17 Aug 2011

Phys. Chem. Chem. Phys., 2011,13, 16574-16578

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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 and F. Gao, Phys. Chem. Chem. Phys., 2011, 13, 16574 DOI: 10.1039/C1CP20482C

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