• 文献标题:   Magnetic properties of all-carbon graphene-fullerene nanobuds
  • 文献类型:   Article
  • 作  者:   WANG M, LI CM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076
  • 通讯作者地址:   Nanyang Technol Univ
  • 被引频次:   22
  • DOI:   10.1039/c0cp02433c
  • 出版年:   2011

▎ 摘  要

The magnetic properties of proposed all-carbon graphene-fullerene nanobuds have been investigated through spin-polarized density functional theory. Four structures (A, B, C and D) are proposed in terms of the geometry, and analysis of the formation of new chemical bonds in the nanobuds is conducted. Cases A and B possess magnetic moments of nearly 6 mu(B), originating from unpaired spins due to the chemical bond formation from two next-nearest atoms in graphene. In Cases C and D, the connections of two atoms in different sublattices of graphene cannot generate unpaired spins, resulting in non-magnetic states. The magnetic nanobuds hold great promise for new spintronics and guide the controllable experimental synthesis of desired geometries.