• 文献标题:   Similarity in Band Gap Behavior of Modified Graphene with Different Types of Functionalization
  • 文献类型:   Article
  • 作  者:   CHERNOZATONSKII LA, KVASHNIN DG, KVASHNINA OP, KONSTANTINOVA NA
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Emanuel Inst Biochem Phys RAS
  • 被引频次:   6
  • DOI:   10.1021/jp410264b
  • 出版年:   2014

▎ 摘  要

In this paper we summarize the band gap dependence for 2D graphene -based superlattices. We describe a mechanism of altering the electronic properties of graphene 2D superlattices formed by local hydrogenation, fluorination, and substitution with boron nitride or periodically arranged holes. Varying the distance between these regions significantly changes the electronic properties in a manner similar to the band gap behavior of graphene nanoribbons. Characteristic dependences of the band gap on the shifts of the regions along the zigzag and armchair directions (semiconductor m = 3p + 2 rule) were obtained. The origin of this effect is discussed and explained from an atomistic point of view.