• 文献标题:   Thermal Conductivity of Graphene Nanoribbons with Regular Isotopic Modification
  • 文献类型:   Article
  • 作  者:   LI CY, MIAO L, TAN XJ, HAN MD, JIANG JJ
  • 作者关键词:   isotope, gnr, thermal conductivity, regular modification
  • 出版物名称:   JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE
  • ISSN:   1546-1955 EI 1546-1963
  • 通讯作者地址:   Huazhong Univ Sci Technol
  • 被引频次:   8
  • DOI:   10.1166/jctn.2014.3359
  • 出版年:   2014

▎ 摘  要

The thermal conductivity of graphene nanoribbons (GNRs) with C-13 and C-14 regular modification is investigated by using molecular dynamics simulation. By changing the mass of the isotopic atoms, we find that the thermal conductivity of the interface depends crucially on the thermal conductivity of interfaces. The value of the thermal resistance of C-12-C-14 interface is over twice the value of the thermal resistance of C-12-C-13 interface and C-13-C-14 interface. It is interesting that comparing with the randomly,isotopic modification, the GNRs with regular isotopic modification appears other regularity. With the increase of the width of isotopic region, the thermal conductivity of GNR decreases first and then remains constant. This phenomenon owns to the reason that the width of isotopic region affects the phonon mean free path significantly. Besides, the modification of doping align can amplify or diminish the thermal effect of interfaces.