Electrical properties of covalently functionalized graphene

Citation data:

AIMS Materials Science, ISSN: 2372-0468, Vol: 4, Issue: 2, Page: 340-362

Publication Year:
2017
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Repository URL:
https://pdxscholar.library.pdx.edu/phy_fac/272
DOI:
10.3934/matersci.2017.2.340
Author(s):
Plachinda, Paul; Evans, David; Solanki, Raj
Publisher(s):
American Institute of Mathematical Sciences (AIMS)
Tags:
Materials Science; Graphene -- Electric properties; Electron transport; Molecules; Amines; Charge exchange reactions; Physics
article description
We have employed first-principle calculations to study transformation of graphene's electronic structure under functionalization by covalent bonds with different atomic and molecular groups - epoxies, amines, PFPA. It is shown that this functionalization leads to an opening in the graphene's band gap on order of tens meV, but also leads to reduction of electrical conductivity. We also discuss the influence of charge exchange between the functionalizing molecule and graphene's conjugated electrons on electron transport properties.