Role of nitrogen distribution in asymmetric Stone–Wales defects on electronic transport of graphene nanoribbons
✍ Scribed by Hui Zeng; Jun Zhao; Jianwei Wei; Dahai Xu
- Book ID
- 104542028
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 539 KB
- Volume
- 249
- Category
- Article
- ISSN
- 0370-1972
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✦ Synopsis
Abstract
The authors performed first principles calculation to investigate the influences of nitrogen dopant distribution in the asymmetric Stone–Wales (SW) defect on the electronic transport of zigzag‐edged graphene nanoribbon (ZGNR). The stability of doped configurations are evaluated in terms of total energies. It is found that the dopant placed near the edge of the ribbon is the most energetically favorable site. Our results reveal that the doped nanostructures can be substantially modulated as a result of modifications on electronic bands induced by substitutional dopant. Moreover, the individual dopant gives rise to one or two complete electron backscattering centers associated with impurity states in the doped configurations, and the location is determined by the dopant site. magnified image
Schematics of the atomic structure after asymmetric Stone–Wales defects introduced and different nitrogen substitutional sites.