• 文献标题:   Thermal properties of triangle nitrogen-doped graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   YANG B, LI DB, QI L, LI TB, YANG P
  • 作者关键词:   armchair graphene nanoribbon, thermal conductivity, thermal rectification, nitrogendoped, molecular dynamic
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Jiangsu Univ
  • 被引频次:   5
  • DOI:   10.1016/j.physleta.2019.01.025
  • 出版年:   2019

▎ 摘  要

We investigate the thermal properties of triangle nitrogen-doped graphene nanoribbons (TNGNs) with different nitrogen-doped concentrations (0.11% to 2.31%) at different temperatures (200 K similar to 600 K) using non-equilibrium molecular dynamics. The results show that the nitrogen atoms doped at the edge of the defect can increase the thermal conductivity of graphene nanoribbons, but with the increase of the nitrogen-doped concentrations from 0.11% to 2.31%, the thermal conductivity decreases sharply. In addition, nitrogen atoms reduces the sensitivity of the thermal conductivity to temperature. Besides, the thermal rectification is found, and it increases with the raise of nitrogen-doped concentration. Finally, in order to verify the correctness of the thermal rectification, we calculate the phonon power spectra of TNGNs with nitrogen-doped concentrations of 0.11% and 2.31% at 300 K. These research has important reference value for the control of heat in microelectronic devices. (C) 2019 Elsevier B.V. All rights reserved.