• 文献标题:   The influence of Stone-Wales defects on magnetic properties in graphene
  • 文献类型:   Article
  • 作  者:   CHEN L, YU OY, WANG YL, SUN YY, PAN HZ
  • 作者关键词:  
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477
  • 通讯作者地址:   Linyi Normal Univ
  • 被引频次:   5
  • DOI:   10.1016/j.physe.2010.10.003
  • 出版年:   2010

▎ 摘  要

Using first-principles calculations, we investigate the magnetism of graphene with Stone-Wales (SW) defects, with and without adsorbed hydrogen. The presence of SW defects with adsorbed H in "bulk" graphene and at the edges of zigzag or zigzag-armchair nanoholes quench spin. The mechanism of the disappearance of magnetism is the interaction of H and C atoms. We explain that the SW defects with adsorbed H produced anywhere in graphene have the ability to "switch off" the magnetism. (C) 2010 Elsevier B.V. All rights reserved.