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Edge-functionalized and substitutionally doped graphene nanoribbons : Electronic and spin properties
| Content Provider | Semantic Scholar |
|---|---|
| Author | Cervantes-Sodi, Felipe Csányi, Gábor Piscanec, Stefano Ferrari, Andrea C. |
| Copyright Year | 2008 |
| Abstract | Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical modifications of zigzag ribbons can break the spin degeneracy. This promotes the onset of a semiconducting-metal transition, or of a half-semiconducting state, with the two spin channels having a different band gap, or of a spin-polarized half-semiconducting state, where the spins in the valence and conduction bands are oppositely polarized. Edge functionalization of armchair ribbons gives electronic states a few eV away from the Fermi level and does not significantly affect their band gap. N and B produce different effects, depending on the position of the substitutional site. In particular, edge substitutions at low density do not significantly alter the band gap, while bulk substitution promotes the onset of semiconducting-metal transitions. Pyridinelike defects induce a semiconducting-metal transition. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www-g.eng.cam.ac.uk/nms/publications/pdf/Cervantes-Sodi_PRB2008.pdf |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Bands Degeneracy (graph theory) Density functional theory Doping (semiconductor) Femtometer Functional theories of grammar Graphene Nanoribbons Nanotubes Nanotubes, Carbon Onset (audio) Semiconductor |
| Content Type | Text |
| Resource Type | Article |
