• 文献标题:   Spin Channels in Functionalized Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   CANTELE G, LEE YS, NINNO D, MARZARI N
  • 作者关键词:  
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984
  • 通讯作者地址:   Coherentia CNR INFM
  • 被引频次:   83
  • DOI:   10.1021/nl901557x
  • 出版年:   2009

▎ 摘  要

We characterize the transport of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects, and vacancies. We find that the edge metallic states are preserved under a variety of chemical environments, while bulk conducting channels can be easily destroyed by either hydrogenation or Ion or electron beams, resulting In devices that can exhibit spin conductance polarization close to unity.