期刊论文详细信息
AIMS Materials Science | |
Electrical properties of covalently functionalized graphene | |
Paul Plachinda1  Raj Solanki1  David Evans1  | |
[1] Department of Physics, Portland State University, 1719 SW 10th Ave., Portland, OR 97201, USA; | |
关键词: graphene; functionalization; DFT; PFPA; amines; epoxy; | |
DOI : 10.3934/matersci.2017.2.340 | |
来源: DOAJ |
【 摘 要 】
We have employed first-principle calculations to study transformation of graphene’s electronic structure under functionalization by covalent bonds with di erent 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.
【 授权许可】
Unknown