• 文献标题:   Repair of magnetism in oxidized graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   BOUKHVALOV DW
  • 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:   Natl Inst Mat Sci
  • 被引频次:   6
  • DOI:   10.1016/j.cplett.2010.11.023
  • 出版年:   2011

▎ 摘  要

Novel route for the establishing of magnetism in realistic oxidized graphene nanoribbons is proposed. Modelling of the migration of hydroxyl groups from central part to the zig-zag edges of graphene nanoribbons passivated by oxygen are performed with using density functional theory. The presence of hydroxyl groups near the edges leads formation of dangling bonds there instead saturated due to oxidation and repairs of magnetism diminished by edges oxidation. The route of manufacturing and stability of new type of magnetic graphene nanoribbons are also discussed. (C) 2010 Elsevier B.V. All rights reserved.