• 文献标题:   Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: a first-principles study
  • 文献类型:   Article
  • 作  者:   DAI XQ, LI YH, XIE MH, HU GC, ZHAO JH, ZHAO B
  • 作者关键词:  
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Henan Normal Univ
  • 被引频次:   12
  • DOI:   10.1016/j.physe.2011.04.006
  • 出版年:   2011

▎ 摘  要

In this paper, the stable configuration and the electronic and magnetic properties of Ge adsorption on defected graphene are studied by first-principles calculations. The vacancy defect induced magnetism in graphene depends upon the characteristics of covalent bonding between C atoms near the vacancy site. Substitutional boron can hole-dope graphene while nitrogen electron-dopes graphene. Therefore, the electronic properties of graphene are changed by B or N doping, turning graphene into a metal. However, substitutional B and N do not induce magnetism in graphene. On the other hand, vacancy and substitutional B defects enhance Ge adsorption on graphene, though N doping seems to have little effect on Ge adsorption. Net magnetic moments are induced in Ge-adsorbed graphene (Ge-B-doped and Ge-N-doped graphene), which is caused mainly by the p orbital electrons of Ge atom. No magnetic moment is found when Ge is adsorbed on vacancy-containing graphene. (C) 2011 Elsevier B.V. All rights reserved.