• 文献标题:   Dynamics of a charged Ne atom near graphene edges under a positive static electric field
  • 文献类型:   Article
  • 作  者:   GAO YL, OKADA S
  • 作者关键词:   field ion microscope, graphene, carrier distribution, density functional theory
  • 出版物名称:   FLATCHEM
  • ISSN:   2452-2627
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.flatc.2021.100265 EA JUL 2021
  • 出版年:   2021

▎ 摘  要

Using the density functional theory combined with the effective screening medium method, the dynamical properties of a Ne atom near graphene edges under an external electric field are investigated. The field-induced motions of a Ne atom near the graphene edges are sensitive to the initial position of Ne and the edge morphology of graphene. The Ne atom is attracted to the edge atomic sites of graphene when it is initially located above the edges. The Ne atom moves to the counter negative electrode when it is located alongside the armchair edge. The Ne atom approximately maintains its initial position when it is located alongside the zigzag edge owing to the polarity of the Ne atom induced by the edge morphology.