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 |
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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 |
| _version_ | 1818041872695689216 |
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| author | Paul Plachinda David Evans Raj Solanki |
| author_facet | Paul Plachinda David Evans Raj Solanki |
| author_sort | Paul Plachinda |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-10T08:37:20Z |
| format | Article |
| id | doaj.art-b95c0479eea443b286a6e6553497fb94 |
| institution | Directory Open Access Journal |
| issn | 2372-0484 |
| language | English |
| last_indexed | 2024-12-10T08:37:20Z |
| publishDate | 2017-02-01 |
| publisher | AIMS Press |
| record_format | Article |
| series | AIMS Materials Science |
| spelling | doaj.art-b95c0479eea443b286a6e6553497fb942022-12-22T01:55:56ZengAIMS PressAIMS Materials Science2372-04842017-02-014234036210.3934/matersci.2017.2.340matersci-04-00340Electrical properties of covalently functionalized graphenePaul Plachinda0David Evans1Raj Solanki2Department of Physics, Portland State University, 1719 SW 10th Ave., Portland, OR 97201, USADepartment of Physics, Portland State University, 1719 SW 10th Ave., Portland, OR 97201, USADepartment of Physics, Portland State University, 1719 SW 10th Ave., Portland, OR 97201, USAWe 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.http://www.aimspress.com/Materials/article/1268/fulltext.htmlgraphenefunctionalizationDFTPFPAaminesepoxy |
| spellingShingle | Paul Plachinda David Evans Raj Solanki Electrical properties of covalently functionalized graphene AIMS Materials Science graphene functionalization DFT PFPA amines epoxy |
| title | Electrical properties of covalently functionalized graphene |
| title_full | Electrical properties of covalently functionalized graphene |
| title_fullStr | Electrical properties of covalently functionalized graphene |
| title_full_unstemmed | Electrical properties of covalently functionalized graphene |
| title_short | Electrical properties of covalently functionalized graphene |
| title_sort | electrical properties of covalently functionalized graphene |
| topic | graphene functionalization DFT PFPA amines epoxy |
| url | http://www.aimspress.com/Materials/article/1268/fulltext.html |
| work_keys_str_mv | AT paulplachinda electricalpropertiesofcovalentlyfunctionalizedgraphene AT davidevans electricalpropertiesofcovalentlyfunctionalizedgraphene AT rajsolanki electricalpropertiesofcovalentlyfunctionalizedgraphene |