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...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2014
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/105130 http://hdl.handle.net/10220/20691 http://dx.doi.org/10.1002/cphc.201402133 |