Electronic properties of graphene nanoribbon doped by boron/nitrogen pair: a first-principles study
By using the first-principles calculations, the electronic properties of graphene nanoribbon (GNR) doped by boron/nitrogen (B/N) bonded pair are investigated. It is found that B/N bonded pair tends to be doped at the edges of GNR and B/N pair doping in GNR is easier to carry out than single B doping...
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Veröffentlicht in: | Chinese physics B 2012-02, Vol.21 (2), p.450-456 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | By using the first-principles calculations, the electronic properties of graphene nanoribbon (GNR) doped by boron/nitrogen (B/N) bonded pair are investigated. It is found that B/N bonded pair tends to be doped at the edges of GNR and B/N pair doping in GNR is easier to carry out than single B doping and unbonded B/N co-doping in GNR. The electronic structure of GNR doped by B/N pair is very sensitive to doping site besides the ribbon width and chirality. Moreover, B/N pair doping can selectively adjust the energy gap of armchair GNR and can induce the semimetal-semiconductor transmission for zigzag GNR. This fact may lead to a possible method for energy band engineering of GNRs and benefit the design of graphene electronic device. |
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ISSN: | 1674-1056 2058-3834 1741-4199 |
DOI: | 10.1088/1674-1056/21/2/027102 |