A Revisit to High Thermoelectric Performance of Single-layer MoS2

• DOI: 10.1038/srep18342
• Publication Date: 2015-12-18T12:18:33Z
• Authors: Zelin Jin; Quanwen Liao; Haisheng Fang; Zhichun Liu; Wei Liu; Zhidong Ding; Tengfei Luo; Nuo Yang
• Keywords: Boltzmann constant

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