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On the effect of grain boundaries on the electronic and transport properties of graphene

Published online by Cambridge University Press:  22 May 2014

Watheq Elias ,
M. Elliott  and
C. C. Matthai
Watheq Elias
Affiliation:
School of Physics and Astronomy Cardiff University, The Parade, Cardiff, CF24 3AA, UK. Department of Physics, College of Science, Koya University, Erbil, Iraq.
M. Elliott
Affiliation:
School of Physics and Astronomy Cardiff University, The Parade, Cardiff, CF24 3AA, UK.
C. C. Matthai*
Affiliation:
School of Physics and Astronomy Cardiff University, The Parade, Cardiff, CF24 3AA, UK.
*
*E-mail: [email protected]
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Abstract

In studying large scale graphene structures it is necessary to consider the grain boundaries between the many single-crystal domains. The disruption of the crystallographic structure has consequences for both the electronic and transport properties. Although there has been much interest in this area in recent years, the size of system makes it difficult for ab initio methods to be applied to large structures and tight-binding models have provided some interesting results [1]. The semi-empirical Extended Hückel Theory (EHT) has advantage of being able to take account of charge reordering and to study very large systems. We have already applied this approach to study electrical transport across organic molecules and carbon nanoribbons. In this paper, we report on the results of EHT self-consistent calculations carried out to investigate the effect of grain boundaries on both the electronic structure and the electrical transport.

Keywords

Cgrain boundarieselectronic structure
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-rr15-42
Copyright
Copyright © Materials Research Society 2014 

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