• 文献标题:   Structural and Electronic Properties of Rippled Graphene with Different Orientations of Stone-Wales Defects: First-Principles Study
  • 文献类型:   Article
  • 作  者:   TALLA JA, ALMAHMOUD EA, ALKHAZA LEH K, ABUFARSAKH H
  • 作者关键词:   graphene, stonewales defect, uniaxial strain, rippling, electronic propertie, density functional theory
  • 出版物名称:   SEMICONDUCTORS
  • ISSN:   1063-7826 EI 1090-6479
  • 通讯作者地址:  
  • 被引频次:   3
  • DOI:   10.1134/S1063782621070198 EA FEB 2022
  • 出版年:   2021

▎ 摘  要

In this work, we used density functional theory to investigate the structural and electronic properties of rippled pristine graphene and graphene with two orientations of Stone-Wales defects. The formation of periodic ripples was induced by applying uni-axial strain on graphene sheets. The creation of pentagonal and heptagonal rings in the graphitic backbone has resulted in a dramatic modification on electronic properties at the atomic level as a consequence of modifying bond lengths. Moreover, ripples start to show up in graphene with different types of Stone-Wales defects when the strain exceeds 4%. Equally important, the strain may be used to tune the graphene wrinkling as well as graphene electronic properties. Besides, ripples induced by mechanical strain have a great impact on the electronic properties of pristine graphene and graphene with different orientations of Stone-Wales defects. This novel observation might be used to control not only graphene's electronic properties but also graphene structural functionality.