• 文献标题:   Effect of dopant nitrogen on the thermoelectric properties of C-20 and C-60 fullerene in graphene nanoribbon junction
  • 文献类型:   Article
  • 作  者:   KHALATBARI H, VISHKAYI SI, SOLEIMANI HR
  • 作者关键词:   fullerene, graphene nanoribbon, thermopower, phonons electrons thermal conductivity, figure of merit
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Univ Guilan
  • 被引频次:   2
  • DOI:   10.1016/j.physe.2018.09.024
  • 出版年:   2019

▎ 摘  要

We study the thermoelectric properties of a system that consists of fullerene molecule which connects to graphene nanoribbons. Our research includes C-20 as the smallest fullerenes and C-60 as the most stable and abundant type of fullerenes. The calculations are done using the density functional theory and non-equilibrium Green function in a linear response regime. We address properly the important thermoelectric quantities and their behaviors. Results show that doping of fullerene with a nitrogen causes new levels of energy in vicinity of Fermi level. Although doping has different effects on the electrical conductivity, phonon and electron contributions to the thermal conductivity and thermopower of the molecule but it eventually causes the figure of merit increases.