Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 4, Issue 9, Pages 1443-1448Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz4005587
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Funding
- National Natural Science Foundation of China [21273124, 21290191]
- Ministry of Science and Technology of China [2011CB932304, 2011CB808405, 2013CB933503]
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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)).
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