• 文献标题:   Electronic properties of edge functionalized S-graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   MAJIDI R
  • 作者关键词:   sgraphene, nanoribbon, edge functionalization, energy band gap, density functional theory
  • 出版物名称:   SOLID STATE COMMUNICATIONS
  • ISSN:   0038-1098 EI 1879-2766
  • 通讯作者地址:  
  • 被引频次:   4
  • DOI:   10.1016/j.ssc.2021.114286 EA MAR 2021
  • 出版年:   2021

▎ 摘  要

The structural and electronic properties of edge functionalized S-graphene nanoribbons are studied based on density functional theory. The C atoms of both edges of S-graphene nanoribbons are saturated with -H, -F, -OH, -S, and -Cl groups. It is shown that these edge functionalized nanoribbons are thermally stable. Their electronic properties are strongly dependent on the ribbon width and edge functionalization. The -S and -Cl edge functionalized S-graphene nanoribbons show metallic properties, while S-graphene nanoribbons functionalized by -H, -F, and -OH are semiconductors. Increasing the ribbon width -H, -F, and -OH edge functionalized S-graphene nanoribbons leads to semiconducting-metal transition. Our results indicate that functionalization is a proper way to tune the electronic properties of S-graphene nanoribbons towards various devices and sensing applications.