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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| creator | 肖金 杨志雄 谢伟涛 肖立新 徐慧 欧阳方平 |
| description | 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. |
| doi_str_mv | 10.1088/1674-1056/21/2/027102 |
| format | Article |
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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. 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| fulltext | fulltext |
| identifier | ISSN: 1674-1056 |
| ispartof | Chinese physics B, 2012-02, Vol.21 (2), p.450-456 |
| issn | 1674-1056 2058-3834 1741-4199 |
| language | eng |
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| source | IOP Publishing Journals |
| subjects | Bonding Boron Chairs Doping Electronic properties Energy bands Energy gap Graphene Nanostructure 掺杂石墨 掺硼 氮 电子性能 电子性质 电子结构 第一原理计算 纳米带 |
| title | Electronic properties of graphene nanoribbon doped by boron/nitrogen pair： a first-principles study |
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