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Structures and Electronic Properties of Graphene with Vacancy Defects

Published online by Cambridge University Press:  22 May 2014

J. Sugimoto  and
K. Shintani
J. Sugimoto
Affiliation:
Department of Mechanical Engineering and Intelligent Systems, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan
K. Shintani
Affiliation:
Department of Mechanical Engineering and Intelligent Systems, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan
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Abstract

The structures and electronic properties of graphene with defects consisting of one to six atomic vacancies are investigated using first-principles calculation. All of the geometrically possible initial structures of a movacancy or a multivacancy in graphene are equilibrated. The formation energies and electronic band structures for the equilibrated defective structures are calculated. It is suggested non-zero bandgaps may be induced in graphene by introducing some types of monovacancy or multivacancy although further checks regarding supercell size are necessary to ensure the present results.

Keywords

Cdefectsnanostructure
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1658: Symposium RR – Large-Area Graphene and Other 2D-Layered Materials—Synthesis, Properties and Applications , 2014 , mrsf13-1658-rr15-08
Copyright
Copyright © Materials Research Society 2014 

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References

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