Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study
We report combined first-principle and tight-binding (TB) calculations to simulate the effects of chemical edge modifications on structural and electronic properties. The C-C bond lengths and bond angles near the graphene nanoribbon (GNR) edge have considerable changes when edge carbon atoms are bou...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2011
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/92142 http://hdl.handle.net/10220/6914 |