Ab Initio Spin-Polarized calculations of Fluorine Trimers on Graphene
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- 作者：J. Rivera-Julio ; A. D. Hernández-Nieves
- 关键词：Graphene ; Ab initio ; Fluorine adatoms
- 刊名：Journal of Low Temperature Physics
- 出版年：2015
- 出版时间：April 2015
- 年：2015
- 卷：179
- 期：1-2
- 页码：3-8
- 全文大小：871 KB
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文摘
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.