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Electronic properties of armchair graphene nanoribbons with BN-doping

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成果类型:
期刊论文
作者:
Chen, L. N.*
通讯作者:
Chen, L. N.
作者机构:
[Chen, L. N.] Cent S Univ, Sch Informat Sci & Engn, Changsha 410083, Hunan, Peoples R China.
[Chen, L. N.] Univ South China, Sch Comp Sci & Technol, Hengyang 421001, Peoples R China.
通讯机构:
[Chen, L. N.] C
Cent S Univ, Sch Informat Sci & Engn, Changsha 410083, Hunan, Peoples R China.
语种:
英文
关键词:
A. Armchair graphene nanoribbon;D. B/N doping;D. Energy gap;E. First-principles
期刊:
Solid State Communications
ISSN:
0038-1098
年:
2014
卷:
191
页码:
59-65
基金类别:
Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [11JJ3073]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [10C1171]
机构署名:
本校为其他机构
院系归属:
计算机科学与技术学院
摘要:
Using the first-principles calculations based on density functional theory, we investigated the electronic properties of armchair graphene nanoribbons (AGNRs) with boron nitrogen (BN) doping. The B and N impurities can adjust the electronic properties of the AGNRs, whose features strongly depend on the impurity types and the ribbon width of the AGNRs. Interestingly, with the increase of the ribbon width, the energy gap of the AGNRs with B/N pair doping is oscillatory. The AGNRs with B or N doping show metallic behavior, and the localized unsaturated electronic states on the edge atoms lead to ...

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