• 文献标题:   Structural and electronic properties of armchair graphene nanoribbons functionalized with fluorine
  • 文献类型:   Article
  • 作  者:   JHA KK, TYAGI N, JAISWAL NK, SRIVASTAVA P
  • 作者关键词:   graphene nanoribbon, fluorine, adsorption, band structure, spin polarization
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   PDPM Indian Inst Informat Technol Design Mfg
  • 被引频次:   1
  • DOI:   10.1016/j.physleta.2019.125949
  • 出版年:   2019

▎ 摘  要

The interaction of armchair graphene nanoribbons (AGNR) with F has been investigated by considering it as a passivating element as well as adatom impurity. The adsorption of F at three different sites viz. bridge (B), top (T) and hole (H) is examined to determine the most stable configuration. It is revealed that F passivation is slightly more favorable than the H passivation of AGNR and it also affects the band gap. Interestingly, F adsorbed AGNR exhibit magnetic ground state which is about 70 meV more favourable over nonmagnetic state. Further, F passivated AGNR exhibit linear I-V characteristic which indicates potential for interconnect applications. (C) 2019 Elsevier B.V. All rights reserved.