• 文献标题:   Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   RIVERAJULIO J, HERNANDEZNIEVES AD
  • 作者关键词:   graphene, ab initio, fluorine adatom
  • 出版物名称:   JOURNAL OF LOW TEMPERATURE PHYSICS
  • ISSN:   0022-2291 EI 1573-7357
  • 通讯作者地址:   Ctr Atom Bariloche
  • 被引频次:   0
  • DOI:   10.1007/s10909-014-1242-1
  • 出版年:   2015

▎ 摘  要

We studied the magnetic states of fluorine trimers on graphene by using spin-polarized density functional calculations. We considered the absorption of fluorine atoms on one side of the graphene sheet (cis-clusters). Several possible positions of the fluorine atoms were considered to find the most energetically favorable configuration, and its different metastable magnetic states were investigated.