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arXiv · 1504.03852

A Revisit to High Thermoelectric Performance of Single-layer MoS2

Zelin Jin·Quanwen Liao·Haisheng Fang·Zhichun Liu·Wei Liu·Zhidong Ding·Tengfei Luo·Nuo Yang
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Abstract

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.

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Zelin Jin, Quanwen Liao, Haisheng Fang, Zhichun Liu, Wei Liu, Zhidong Ding, Tengfei Luo, Nuo Yang. 2015-04-15. A Revisit to High Thermoelectric Performance of Single-layer MoS2. https://doi.org/10.1038/srep18342

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