• 文献标题:   Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning
  • 文献类型:   Article
  • 作  者:   DU L, NGUYEN TN, GILMAN A, MUNIZ AR, MAROUDAS D
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Massachusetts
  • 被引频次:   0
  • DOI:   10.1103/PhysRevB.96.245422
  • 出版年:   2017

▎ 摘  要

We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.