• 文献标题:   A comparison study of the structural, electronic and electronic transport properties of nanoribbons based on Penta-graphene, Penta-P2C and Penta-SiC2
  • 文献类型:   Article
  • 作  者:   MI TY, HUY HA, TIEN NT
  • 作者关键词:   pgss, pp2css, psic 2 ss, sp 2 hybridizedatom, structuralpropertie, electronicpropertie, electronictransportpropertie
  • 出版物名称:   MATERIALS TODAY COMMUNICATIONS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1016/j.mtcomm.2022.103912 EA JUL 2022
  • 出版年:   2022

▎ 摘  要

A comparison study of the structural, electronic and electronic transport properties of the three proposed sawtooth edge nanoribbon materials based on Penta-graphene, p-P2C and p-SiC2, i.e. PG-SS, p-P2C-SS and p-SiC2-SS is done. While these systems are the same in sawtooth-edges with dangling bond atoms neutralized by H ones, in atomic lines number and their precursor models pose P-421m symmetry, their geometry structures differ mainly at boundaries and their buckles are increased compared with the corresponding precursor structures because of the quantum confinement effect. Both the electronic and electronic transport properties of these systems depend strongly on the sp(2)-hybridized atoms. In particular, we find out their special electronic characteristic is that conduction band minimum states are mainly contributed by sp(2)-hybridized atoms not located at edges. Moreover, in the case of electronic transport properties, we strongly believe that the more valence electrons are concentrated at atoms, the lower the transmission of these systems decreases, especially for sp2-hybridized atoms.