Tight binding description on the band gap opening of pyrene-dispersed graphene
Shenai, Prathamesh Mahesh
Date of Issue2011
School of Materials Science and Engineering
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 mono layer 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.
DRNTU::Engineering::Materials::Microelectronics and semiconductor materials
Physical chemistry chemical physics
© 2011 Royal Society of Chemistry. This is the author created version of a work that has been peer reviewed and accepted for publication by Physical Chemistry Chemical Physics, Royal Society of Chemistry. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [DOI: http://dx.doi.org/10.1039/C0CP00909A ]