Band-gap manipulations of monolayer graphene by phenyl radical adsorptions : a density functional theory study

Phenyl radical (Ph.) adsorption on monolayer graphene sheets is used to investigate the band-gap manipulation of graphene through density functional theory. Adsorption of a single Ph. on graphene breaks the aromatic π-bond and generates an unpaired electron, which is delocalized to the ortho or para...

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Bibliographic Details
Main Authors: Huang, Lin, Sk, Mahasin Alam, Chen, Peng, Lim, Kok Hwa
Other Authors: School of Chemical and Biomedical Engineering
Format: Journal Article
Language:English
Published: 2014
Subjects:
Online Access:https://hdl.handle.net/10356/105130
http://hdl.handle.net/10220/20691
http://dx.doi.org/10.1002/cphc.201402133