A Revisit to High Thermoelectric Performance of Single-layer MoS(2)

Both electron and phonon transport properties of single layer MoS(2) (SLMoS(2)) are studied. Based on first-principles calculations, the electrical conductivity of SLMoS(2) is calculated by Boltzmann equations. The thermal conductivity of SLMoS(2) is calculated to be as high as 116.8 Wm(−1)K(−1) by...

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Detalles Bibliográficos
Autores principales: Jin, Zelin, Liao, Quanwen, Fang, Haisheng, Liu, Zhichun, Liu, Wei, Ding, Zhidong, Luo, Tengfei, Yang, Nuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4683674/
https://www.ncbi.nlm.nih.gov/pubmed/26677953
http://dx.doi.org/10.1038/srep18342
Descripción
Sumario:Both electron and phonon transport properties of single layer MoS(2) (SLMoS(2)) are studied. Based on first-principles calculations, the electrical conductivity of SLMoS(2) is calculated by Boltzmann equations. The thermal conductivity of SLMoS(2) is calculated to be as high as 116.8 Wm(−1)K(−1) by equilibrium molecular dynamics simulations. The predicted value of ZT is as high as 0.11 at 500 K. As the thermal conductivity could be reduced largely by phonon engineering, there should be a high possibility to enhance ZT in the SLMoS(2)-based materials.

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