• 文献标题:   Spin-dependent transport properties in covalent-organic molecular device with graphene nanoribbon electrodes
  • 文献类型:   Article
  • 作  者:   CHEN W, MAO WW, BIAN BA, XU N, CHEN RF, LI XA, WANG LH
  • 作者关键词:   spin transport, molecular device, graphene nanoribbon
  • 出版物名称:   COMPUTATIONAL THEORETICAL CHEMISTRY
  • ISSN:   2210-271X EI 1872-7999
  • 通讯作者地址:   Nanjing Univ Posts Telecommun
  • 被引频次:   4
  • DOI:   10.1016/j.comptc.2016.07.015
  • 出版年:   2016

▎ 摘  要

Based on the first-principles method, the spin-dependent transport properties of covalent-organic molecular device embedded between two zigzag-edge graphene nanoribbon (ZGNR) electrodes have been studied. It is revealed that in the parallel (P) spin configuration of two ZGNR electrodes, the molecular device exhibits a robust spin filtering effect (up to 100%). In another case of antiparallel (AP) spin configuration, dual spin filtering, spin rectifying as well as negative differential resistance (NDR) effects were discovered. These calculated results offer useful ideas for designing high-performance ZGNR-based molecular devices. (C) 2016 Elsevier B.V. All rights reserved.