• 文献标题:   "Even" conducting superiority in molecular wires designed by porphyrin and graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   LI J, LI T, DUAN YR, LI H
  • 作者关键词:   newly designed molecular wire, unconventional conducting behavior, electron transport mechanism, first principle
  • 出版物名称:   MATERIALS DESIGN
  • ISSN:   0264-1275 EI 1873-4197
  • 通讯作者地址:   Shandong Univ
  • 被引频次:   1
  • DOI:   10.1016/j.matdes.2020.108487
  • 出版年:   2020

▎ 摘  要

Highly conducting molecular wires are extremely desirable in molecular-scale circuitry, but restricted by their role as tunnel barriers due to their steep conductance recession with the length. This work innovatively reveals that in equilibrium, the conductance of the newly designed porphyrin-graphene nanoribbons (GNRs) molecular wires would increase with the length, presenting appealing "even" conducting superiority, different with pure-GNRs molecular wires. Such anomalous transport behavior is not related with edge states of GNRs but the contribution of the porphyrin part in the transport. More interestingly, this "even" conducting advantage would be more prominent with slightly larger voltage, originated from narrower HOMO-LUMO gap of "even" assembled molecular wires. Besides, one of these hybrid molecular wires shows exceedingly strong transmission. This work suggests valuable applications of these new-assembled molecular wires in nano-electronics. (C) 2020 The Author(s). Published by Elsevier Ltd.