• 文献标题:   Zigzag graphene nanoribbons separated by F/O as interconnects for all-carbon integrated circuits: A DFT investigation
  • 文献类型:   Article
  • 作  者:   WEN RL, SHAO C, RUI CK, JIANG ZH, MIAO R, SHAO QY
  • 作者关键词:   zigzag graphene nanoribbons zgnrs, density functional theory dft, fluorine atom chain separation, nanointerconnect, electronic transport propertie
  • 出版物名称:   CHINESE JOURNAL OF PHYSICS
  • ISSN:   0577-9073
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.1016/j.cjph.2022.02.009 EA FEB 2022
  • 出版年:   2022

▎ 摘  要

Adsorbing atom is a promising technology for graphene nanoribbons separation. Using a com-bination of density functional theory (DFT) and non-equilibrium Green's function (NEGF), we investigated stability and electronic transport properties of zigzag graphene nanoribbons (ZGNRs) that adsorb a row of fluorine or oxygen atoms on the central zigzag carbon chain. Results indicate that all ZGNRs after adsorption can exist stably. Adsorbing separation has excellent current work in comparison with the results of mechanical separation. Transmission pathways of electrons and local density of states (LDOS) reveal that fluorinated carbon chain can prevent electrons moving. Two sections on the ZGNR are separated by the row of fluorine atoms that are shown to function as a transport boundary between them. However, the row of oxygen atoms cannot separate ZGNR. Electrons tend to move around oxygen atoms and the lone-pair electrons of oxygen atoms participate in the transport of electrons, resulting in an improvement of carrier mobility. Real-izing this adsorbing separation of ZGNR will provide new ideas for interconnects wiring in all-carbon integrated circuits.