• 文献标题:   Effect of Uniaxial Strain on Heat Capacity and Thermal Conductivity of Graphene Nanoribbons Passivated by Hydrogen
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   LIAN L, MA F, ZHENG HB, YANG D, XU KW
  • 作者关键词:   graphene, hydrogen passivation, strain, thermodynamic propertie
  • 出版物名称:   INTEGRATED FERROELECTRICS
  • ISSN:   1058-4587 EI 1607-8489
  • 通讯作者地址:   Xi An Jiao Tong Univ
  • 被引频次:   5
  • DOI:   10.1080/10584587.2013.787519
  • 出版年:   2013

▎ 摘  要

First-principle calculation is used to study the influence of uniaxial strain on the heat capacity and thermal conductivity of hydrogen passivated graphene nanoribbons. It is found that, the frequency of lattice vibration modes shifts down with increasing strain, and the thermodynamic properties change correspondingly, which is also temperature dependent. At the temperature lower than 200 K, the influence of strain is negligible, while at the temperature higher than 200 K, more phonon modes will be activated at a larger strain. The heat capacity is increased to some degree, however, the thermal conductivity increases firstly and then decreases with the strain. This can be ascribe to the enhanced Umklapp scattering among phonons and is consistent with the result of vibration entropy.