  Both electron and phonon transport properties of single layer MoS2 (SLMoS2)
are studied. Based on first-principles calculations, the electrical
conductivity of SLMoS2 is calculated by Boltzmann equations. The thermal
conductivity of SLMoS2 is calculated to be as high as 116.8 Wm-1K-1 by
molecular dynamics (MD) simulations. The predicted value of ZT is as high as
0.26 at 500K. As the thermal conductivity could be reduced largely by phonon
engineering, there should be a high possibility to enhance ZT in the
SLMoS2-based materials.
