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...

Descripción completa

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
_version_ 1782406064552017920
author Jin, Zelin
Liao, Quanwen
Fang, Haisheng
Liu, Zhichun
Liu, Wei
Ding, Zhidong
Luo, Tengfei
Yang, Nuo
author_facet Jin, Zelin
Liao, Quanwen
Fang, Haisheng
Liu, Zhichun
Liu, Wei
Ding, Zhidong
Luo, Tengfei
Yang, Nuo
author_sort Jin, Zelin
collection PubMed
description 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.
format Online
Article
Text
id pubmed-4683674
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher Nature Publishing Group
record_format MEDLINE/PubMed
spelling pubmed-46836742015-12-21 A Revisit to High Thermoelectric Performance of Single-layer MoS(2) Jin, Zelin Liao, Quanwen Fang, Haisheng Liu, Zhichun Liu, Wei Ding, Zhidong Luo, Tengfei Yang, Nuo Sci Rep Article 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. Nature Publishing Group 2015-12-17 /pmc/articles/PMC4683674/ /pubmed/26677953 http://dx.doi.org/10.1038/srep18342 Text en Copyright © 2015, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Jin, Zelin
Liao, Quanwen
Fang, Haisheng
Liu, Zhichun
Liu, Wei
Ding, Zhidong
Luo, Tengfei
Yang, Nuo
A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title_full A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title_fullStr A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title_full_unstemmed A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title_short A Revisit to High Thermoelectric Performance of Single-layer MoS(2)
title_sort revisit to high thermoelectric performance of single-layer mos(2)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4683674/
https://www.ncbi.nlm.nih.gov/pubmed/26677953
http://dx.doi.org/10.1038/srep18342
work_keys_str_mv AT jinzelin arevisittohighthermoelectricperformanceofsinglelayermos2
AT liaoquanwen arevisittohighthermoelectricperformanceofsinglelayermos2
AT fanghaisheng arevisittohighthermoelectricperformanceofsinglelayermos2
AT liuzhichun arevisittohighthermoelectricperformanceofsinglelayermos2
AT liuwei arevisittohighthermoelectricperformanceofsinglelayermos2
AT dingzhidong arevisittohighthermoelectricperformanceofsinglelayermos2
AT luotengfei arevisittohighthermoelectricperformanceofsinglelayermos2
AT yangnuo arevisittohighthermoelectricperformanceofsinglelayermos2
AT jinzelin revisittohighthermoelectricperformanceofsinglelayermos2
AT liaoquanwen revisittohighthermoelectricperformanceofsinglelayermos2
AT fanghaisheng revisittohighthermoelectricperformanceofsinglelayermos2
AT liuzhichun revisittohighthermoelectricperformanceofsinglelayermos2
AT liuwei revisittohighthermoelectricperformanceofsinglelayermos2
AT dingzhidong revisittohighthermoelectricperformanceofsinglelayermos2
AT luotengfei revisittohighthermoelectricperformanceofsinglelayermos2
AT yangnuo revisittohighthermoelectricperformanceofsinglelayermos2

Ejemplares similares