• 文献标题:   Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene
  • 文献类型:   Article
  • 作  者:   XIE H, LU WC, ZHANG W, QIN PH, WANG CZ, HO KM
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Qingdao Univ
  • 被引频次:   4
  • DOI:   10.1016/j.cplett.2013.03.084
  • 出版年:   2013

▎ 摘  要

Triangular graphene nanoflakes (GNFs) embedded in fluorinated graphene are systematically investigated using first-principles density functional theory (DFT) calculations. The electronic and magnetic properties of such nanoflakes depend sensitively on the topology (armchair or zigzag) and the length of the edge of nanofakes. All embedded armchair triangular GNFs are semiconducting with size-dependent band gaps. The embedded zigzag triangular GNFs are magnetic with a ferrimagnetic ground state due to topological frustration of the pi bonds. The magnetic moment scales linear with the size of the triangular GNF. (C) 2013 Elsevier B.V. All rights reserved.