• 文献标题:   Thermal conductivity and heat transport properties of graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   MAHDIZADEH SJ, GOHARSHADI EK
  • 作者关键词:   graphene nanoribbon, thermal conductivity, molecular dynamics simulation, greenkubo method
  • 出版物名称:   JOURNAL OF NANOPARTICLE RESEARCH
  • ISSN:   1388-0764 EI 1572-896X
  • 通讯作者地址:   Ferdowsi Univ Mashhad
  • 被引频次:   16
  • DOI:   10.1007/s11051-014-2553-5
  • 出版年:   2014

▎ 摘  要

The graphene nanoribbons (GNRs) are promising candidate for next-generation electronic materials. Herein, the thermal conductivity (TC) and heat transport properties of GNRs were investigated as a function of temperature and nanoribbon size using equilibrium molecular dynamics simulation based on Green-Kubo method. According to the results, by increasing temperature, the TC decreases monotonically by T (-1.52). The size dependence of TC was studied using a series of GNRs with 2 nm in width and 2-30 nm in length. The results showed that the TC decreases with longitudinal extension to reach a plateau at similar to 1,500 W m(-1) K-1 based on an exponential curve fitting. The phonon scattering relaxation time, the average group velocity of phonons, and the phonon mean free paths were also calculated. The contribution of high frequency optical phonons to the total TC is negligible (0.3-2.0 %) below 400 K and exponentially increases at higher temperatures. When the quantum corrections for temperature were considered to the calculated results, the maximum value for TC (similar to 5,500 W m(-1) K-1) was obtained at 130 K.