• 文献标题:   Theoretical investigation of the NLO properties of a series of (C5N)(n) bare graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   SOURI M
  • 作者关键词:   nonlinear optical material, nics aromaticity index, polarizability, firstorder hyperpolarizability, graphene nanoribbon
  • 出版物名称:   JOURNAL OF NANOPHOTONICS
  • ISSN:   1934-2608
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1117/1.JNP.15.046012
  • 出版年:   2021

▎ 摘  要

In this research, the electronic and chemical properties of a series of (C5N)(n) nanoribbons have been investigated. The effect of nanoribbon length on the polarizability and hyperpolarizability of the molecules has been considered. It has been demonstrated that odd or even number of constructive units impresses on the polarizability of this type of nanoribbons. Clearly, (C5N)(2n) nanoribbons show better NLO properties. To survey the chemical properties of considered nanoribbons, the frontier molecular orbitals have been studied. Aromaticity of involving rings in considered nanoribbons has been investigated, too. (C) 2021 Society of Photo-Optical Instrumentation Engineers (SPIE)