• 文献标题:   Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction
  • 文献类型:   Article
  • 作  者:   CHEN JM, XI JY, WANG D, SHUAI ZG
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY LETTERS
  • ISSN:   1948-7185
  • 通讯作者地址:   Tsinghua Univ
  • 被引频次:   143
  • DOI:   10.1021/jz4005587
  • 出版年:   2013

▎ 摘  要

We show here that the carrier mobility in the novel sp-sp(2) hybridization planar 6,6,12-graphyne sheet should be even larger than that in the graphene sheet. Both graphyne and graphene exhibit a Dirac cone structure near the Fermi surface. However, due to the sp-sp(2) hybridization forming the triple bonds in graphyne, the electron-phonon scattering is reduced compared with that of graphene. The carrier mobility is calculated at the first-principles level by using the Boltzmann transport equation coupled with the deformation potential theory. The intrinsic mobility of the 6,6,12-graphyne is 4.29 x 10(5) cm(2) V-1 s(-1) for holes and 541 x 10(5) cm(2) V-1 s(-1) for electrons at room temperature, which is found to be larger than that of graphene (similar to 3 x 10(5) cm(2) V-1 s(-1)).