Issue 4, 2011
From the journal:

Physical Chemistry Chemical Physics

Tight binding description on the band gap opening of pyrene-dispersed graphene

Dong-Meng Chen,ab   Prathamesh M. Shenaia  and  Yang Zhao*a  

* Corresponding authors

a School of Materials Science and Engineering, Nanyang Technological University, Singapore 639789, Singapore
E-mail: YZhao@ntu.edu.sg

b College of Physics Science and Technology, China University of Petroleum, Dongying 257061, China

Abstract

Opening up a band gap in graphene holds a crucial significance in the realization of graphene-based electronics. Doping with organic molecules to alter the electronic properties of graphene is perceived as an effective band gap engineering approach. Using the tight binding model, we examined the band gap opening of monolayer graphene due to the adsorption of pyrene molecules on both of its sides. It was found that the breakdown of the sublattice symmetry in pyrene-dispersed graphene leads to a band gap of ∼10 meV.

Graphical abstract: Tight binding description on the band gap opening of pyrene-dispersed graphene

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Article information

DOI
https://doi.org/10.1039/C0CP00909A
Article type
Paper
Submitted
17 Jun 2010
Accepted
12 Oct 2010
First published
29 Nov 2010

Phys. Chem. Chem. Phys., 2011,13, 1515-1520

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Tight binding description on the band gap opening of pyrene-dispersed graphene

D. Chen, P. M. Shenai and Y. Zhao, Phys. Chem. Chem. Phys., 2011, 13, 1515 DOI: 10.1039/C0CP00909A

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