A Revisit to High Thermoelectric Performance of Single-layer MoS2
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 dy...
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| creator | Zelin Jin Liao, Quanwen Fang, Haisheng Liu, Zhichun Liu, Wei Ding, Zhidong Luo, Tengfei Yang, Nuo |
| description | 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. |
| doi_str_mv | 10.48550/arxiv.1504.03852 |
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| subjects | Electrical resistivity First principles Heat conductivity Heat transfer Mathematical analysis Molecular dynamics Molybdenum disulfide Phonons Physics - Materials Science Physics - Mesoscale and Nanoscale Physics Thermal conductivity Transport properties |
| title | A Revisit to High Thermoelectric Performance of Single-layer MoS2 |
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