Electronic properties of graphene nanoribbon doped by boron/nitrogen pair： a first-principles study
摘要
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.
引用本文（GB/T 7714）
肖金, 杨志雄, 谢伟涛, 等. Electronic properties of graphene nanoribbon doped by boron/nitrogen pair： a first-principles study[J]. Acta Scientiarum Naturalium Universitatis Sunyatseni, 2012.
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