Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp806905e
Title: Tuning the Electronic Structure of Graphene by an Organic Molecule
Authors: Lu, Y.H. 
Chen, W. 
Feng, Y.P. 
He, P.M.
Issue Date: 8-Jan-2009
Source: Lu, Y.H., Chen, W., Feng, Y.P., He, P.M. (2009-01-08). Tuning the Electronic Structure of Graphene by an Organic Molecule. Journal of Physical Chemistry B 113 (1) : 2-5. ScholarBank@NUS Repository. https://doi.org/10.1021/jp806905e
Abstract: The electronic structure of an electron-acceptor molecule, tetracyanoethylene (TCNE), on graphene was investigated using the first-principles method based on density functional theory. It was theoretically demonstrated that a p-type graphene can be obtained via charge transfer between an organic molecule and graphene. Both the carrier concentration and band gap at the Dirac point can be controlled by coverage of organic molecules. The spin split and partially filled π* orbitals of the TCNE anion radical induce spin density in the graphene layer. Surface modification of graphene by organic molecules could be a simple and effective method to control the electronic structure of graphene over a wide range. © 2009 American Chemical Society.
Source Title: Journal of Physical Chemistry B
URI: http://scholarbank.nus.edu.sg/handle/10635/95359
ISSN: 15206106
DOI: 10.1021/jp806905e
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