• 文献标题:   Transport gap engineering in zigzag graphene nanoribbons through topological design of deposited oxygen atoms: a new way to control the quantum transport in graphene-like materials
  • 文献类型:   Article
  • 作  者:   SAVOSTYANOV GV, SLEPCHENKOV MM, GERASIMENKO AY, TELYSHEV DV, GLUKHOVA OE
  • 作者关键词:   transport gap, quantum electron transport, oxidized zigzag graphene nanoribbon, 2d graphenelike material, nonequilibrium green s function formalism negf, densityfunctional tightbinding dftb
  • 出版物名称:   MATERIALS RESEARCH EXPRESS
  • ISSN:   2053-1591
  • 通讯作者地址:   Saratov NG Chernyshevskii State Univ
  • 被引频次:   0
  • DOI:   10.1088/2053-1591/ab35c7
  • 出版年:   2019

▎ 摘  要

In this paper, we propose a new look at the problem of creating 2D graphene-like materials with adjustable zero conductance zones (transport gaps) in the profile of the electron transmission function T(E) through oxidation. With this purpose, a numerical study of quantum electron transport in oxidized zigzag graphene nanoribbons (ZGNRs) with a chaotic and ordered arrangement of oxygen (O) atoms is carried out. Regularities of the influence of chaotically arranged O-atoms on the function T(E) depending on their concentration and topology are analyzed. The extent of the influence of distance between O-atoms and their concentration on the profile of the function T(E) is determined. For the first time, it is shown that the chaotic deposition of O-atoms 'switched off the localized edge states from the electron transport process of narrow 6-ZGNR, 7-ZGNR and 8-ZGNR nanoribbons even at a concentration of O-atoms of similar to 0.2%, and the ordered linear arrangement of O-atoms retains them even at a concentration of O-atoms of 0.411%, regardless of the nanoribbon width. A method for forming and controlling the transport gaps in the profile of the function T(E) of 2D graphene-like materials without significantly deteriorating its electro-conductive properties is proposed based on obtained results.