• 文献标题:   To investigate the relation between pore size and twist angle in enhanced thermoelectric efficient porous armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   KAUR S, RANDHAWA DKK, NARANG SB
  • 作者关键词:   twist angle, pore, thermoelectric figure of merit, thermal conductance
  • 出版物名称:   MATERIALS RESEARCH EXPRESS
  • ISSN:   2053-1591
  • 通讯作者地址:   Guru Nanak Dev Univ
  • 被引频次:   1
  • DOI:   10.1088/2053-1591/aabf69
  • 出版年:   2018

▎ 摘  要

Based on Non-Equilibrium Green's function method, we demonstrate that the twisted deformation is an efficient method to improve the figure of merit ZT of porous armchair graphene nanoribbons AGNRs. The peak value of ZT can be obtained for a certain tunable twist angle. Further analysis shows that the tunable twist angle exhibits an inverse relationship with the pore size laying forth the designers a choice for the larger twists to be replaced by smaller ones simply by increasing the size of the pore. Ballistic transport regime and semi-empirical method using Huckel basis set is used to obtain the electrical properties while the Tersoff potential is employed for the phononic system. These interesting findings indicate that the twisted porous AGNRs can be utilized as designing materials for potential thermoelectric applications.