• 文献标题:   Graphene sheet with periodic vacancy: A first principles study
  • 文献类型:   Article
  • 作  者:   MAIKHURI D, PARKASH J, ABBAS H
  • 作者关键词:   graphene, periodic vacancie, hydrogen storage
  • 出版物名称:   PHYSICA SCRIPTA
  • ISSN:   0031-8949 EI 1402-4896
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1088/1402-4896/ac40d7
  • 出版年:   2021

▎ 摘  要

We present a comprehensive first-principles study of the electronic structure of graphene sheet with periodic vacancy. We report the structural, electronic, and magnetic properties of the graphene sheet with periodic vacancy that possess 48 C & 28 H atoms. Computational analysis based on density functional theory predicts that the periodic vacancy can modulate the properties of graphene sheet. Results show that periodic vacancies lead to the manipulation of band gap & could be utilized to tailor the electronic properties of the sheet. Also, it is found that, the graphene sheet with periodic vacancy is non-magnetic in nature.