Electrical properties of covalently functionalized graphene
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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIMS Press
2017-02-01
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| Series: | AIMS Materials Science |
| Subjects: | |
| Online Access: | http://www.aimspress.com/Materials/article/1268/fulltext.html |
| Summary: | 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. |
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| ISSN: | 2372-0484 |