%0 Journal Article
%T Graphdiyne: a two-dimensional thermoelectric material with high figure of merit
%A L. Sun
%A P. H. Jiang
%A H. J. Liu
%A D. D. Fan
%A J. H. Liang
%A J. Wei
%A L. Cheng
%A J. Zhang
%A J. Shi
%J Physics
%D 2015
%I arXiv
%X As a new carbon allotrope, the recently fabricated graphdiyne has attracted much attention due to its interesting two-dimensional character. Here we demonstrate by multiscale computations that, unlike graphene, graphdiyne has a natural band gap, and simultaneously possess high electrical conductivity, large Seebeck coefficient, and low thermal conductivity. At a carrier concentration of 2.74*10^11/cm^2 for holes and 1.62*10^11/cm^2 for electrons, the room temperature ZT value of graphdiyne can be optimized to 3.0 and 4.8, respectively, which makes it an ideal system to realize the concept of "phonon-glass and electron-crystal" in the thermoelectric community.
%U http://arxiv.org/abs/1502.01137v3