Modeling electronic properties and quantum transport in doped and defective graphene

A. R. Botello-Méndez*, A. Lherbier, J. C. Charlier

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

The outstanding transport properties of graphene drastically depend on the details of its atomic structure. Thus, modifying the carbon hexagonal network at the atomic level in the form of point defects (chemical dopants, structural modifications) or extended defects (grain boundaries, extended lines of defects) is of paramount importance for the complete understanding of experimental transport measurements on "real" graphene samples. Furthermore, it is crucial to deeply scrutinize the effect of a specific defect on the electronic structure of graphene, because controlled defect introduction may be used to tune the transport properties of graphene in a desired direction for specific applications. In this review, the landscape of defects and their importance in both the electronic structure and the transport properties of graphene are presented using ab initio and tight-binding simulations.

Original languageEnglish
Pages (from-to)90-100
Number of pages11
JournalSolid State Communications
Volume175-176
DOIs
Publication statusPublished - Dec 2013
Externally publishedYes

Funding

The authors thank H. Amara, X. Declerck, S. M.-M. Dubois, N. Leconte, F. Varchon, Z. Zanolli, and B. Zheng for their contributions and constructive discussions as former members of the IMCN-NAPS group. J.-C.C., A.L. and A.R.B.-M. acknowledge financial support from FNRS of Belgium. This research is connected to the ARC Graphene Nano-electromechanics (No. 11/16-037 ) and to the ICT FET Flagship on Graphene entitled “Graphene-based revolutions in ICT and beyond”. Computational resources are provided by the UCL-CISM .

FundersFunder number
FNRS of Belgium

    Keywords

    • A. Graphene
    • D. Electronic structure
    • D. Electronic transport
    • E. Numerical simulations

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