Thermal conductivity of single-layer MoS2: A comparative study between 1H and 1T′ phases

Chao Zhang; Cuixia Wang; Timon Rabczuk

doi:10.1016/j.physe.2018.06.007

Thermal conductivity of single-layer MoS₂: A comparative study between 1H and 1T′ phases

Chao Zhang, Cuixia Wang, Timon Rabczuk

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

We perform molecular dynamic simulations to investigate the thermal conductivity of Single-Layer 1H-MoS₂ (1H-SLMoS₂) and Single-Layer 1T′-MoS₂ (1T′-SLMoS₂), including the size, temperature, and strain effects. (1) For the size effect, the thermal conductivity of both 1H-SLMoS₂ and 1T′-SLMoS₂ increases with increasing length, while the thermal conductivity is insensitive to the width of the sample. The thermal conductivity of 1H-SLMoS₂ is slightly smaller than the 1T′-SLMoS₂ of the same size. (2) For the temperature effect, our simulation results show that the thermal conductivity of both 1H-SLMoS₂ and 1T′-SLMoS₂ decrease with increasing temperature. (3) For the strain effect, we find that the mechanical strain has different effects on the thermal conductivity of the 1H-SLMoS₂ and 1T′-SLMoS₂. More specifically, the thermal conductivity decreases with increasing tensile strain for 1T′-SLMoS₂, but the mechanical strain has weak effects on the thermal conductivity of the 1H-SLMoS₂.

Original language	English
Pages (from-to)	294-299
Number of pages	6
Journal	Physica E: Low-Dimensional Systems and Nanostructures
Volume	103
DOIs	https://doi.org/10.1016/j.physe.2018.06.007
Publication status	Published - 2018 Sept

Bibliographical note

Funding Information:
The work is supported by the China Scholarship Council (CZ and CXW). CZ greatly thank the suggestions and discussions with Prof. Jin-Wu Jiang at Shanghai University and Prof. Ning Wei at Northwest A&F University.

Publisher Copyright:
© 2018 Elsevier B.V.

Keywords

1H-SLMoS
1T′-SLMoS
Size effect
Strain effect
Temperature effect
Thermal conductivity

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics

Access to Document

10.1016/j.physe.2018.06.007

Cite this

@article{11d19725b5414b29ba1c760c12bbcee7,

title = "Thermal conductivity of single-layer MoS2: A comparative study between 1H and 1T′ phases",

abstract = "We perform molecular dynamic simulations to investigate the thermal conductivity of Single-Layer 1H-MoS2 (1H-SLMoS2) and Single-Layer 1T′-MoS2 (1T′-SLMoS2), including the size, temperature, and strain effects. (1) For the size effect, the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 increases with increasing length, while the thermal conductivity is insensitive to the width of the sample. The thermal conductivity of 1H-SLMoS2 is slightly smaller than the 1T′-SLMoS2 of the same size. (2) For the temperature effect, our simulation results show that the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 decrease with increasing temperature. (3) For the strain effect, we find that the mechanical strain has different effects on the thermal conductivity of the 1H-SLMoS2 and 1T′-SLMoS2. More specifically, the thermal conductivity decreases with increasing tensile strain for 1T′-SLMoS2, but the mechanical strain has weak effects on the thermal conductivity of the 1H-SLMoS2.",

keywords = "1H-SLMoS, 1T′-SLMoS, Size effect, Strain effect, Temperature effect, Thermal conductivity",

author = "Chao Zhang and Cuixia Wang and Timon Rabczuk",

note = "Funding Information: The work is supported by the China Scholarship Council (CZ and CXW). CZ greatly thank the suggestions and discussions with Prof. Jin-Wu Jiang at Shanghai University and Prof. Ning Wei at Northwest A&F University. Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2018",

month = sep,

doi = "10.1016/j.physe.2018.06.007",

language = "English",

volume = "103",

pages = "294--299",

journal = "Physica E: Low-Dimensional Systems and Nanostructures",

issn = "1386-9477",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Thermal conductivity of single-layer MoS2

T2 - A comparative study between 1H and 1T′ phases

AU - Zhang, Chao

AU - Wang, Cuixia

AU - Rabczuk, Timon

N1 - Funding Information: The work is supported by the China Scholarship Council (CZ and CXW). CZ greatly thank the suggestions and discussions with Prof. Jin-Wu Jiang at Shanghai University and Prof. Ning Wei at Northwest A&F University. Publisher Copyright: © 2018 Elsevier B.V.

PY - 2018/9

Y1 - 2018/9

N2 - We perform molecular dynamic simulations to investigate the thermal conductivity of Single-Layer 1H-MoS2 (1H-SLMoS2) and Single-Layer 1T′-MoS2 (1T′-SLMoS2), including the size, temperature, and strain effects. (1) For the size effect, the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 increases with increasing length, while the thermal conductivity is insensitive to the width of the sample. The thermal conductivity of 1H-SLMoS2 is slightly smaller than the 1T′-SLMoS2 of the same size. (2) For the temperature effect, our simulation results show that the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 decrease with increasing temperature. (3) For the strain effect, we find that the mechanical strain has different effects on the thermal conductivity of the 1H-SLMoS2 and 1T′-SLMoS2. More specifically, the thermal conductivity decreases with increasing tensile strain for 1T′-SLMoS2, but the mechanical strain has weak effects on the thermal conductivity of the 1H-SLMoS2.

AB - We perform molecular dynamic simulations to investigate the thermal conductivity of Single-Layer 1H-MoS2 (1H-SLMoS2) and Single-Layer 1T′-MoS2 (1T′-SLMoS2), including the size, temperature, and strain effects. (1) For the size effect, the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 increases with increasing length, while the thermal conductivity is insensitive to the width of the sample. The thermal conductivity of 1H-SLMoS2 is slightly smaller than the 1T′-SLMoS2 of the same size. (2) For the temperature effect, our simulation results show that the thermal conductivity of both 1H-SLMoS2 and 1T′-SLMoS2 decrease with increasing temperature. (3) For the strain effect, we find that the mechanical strain has different effects on the thermal conductivity of the 1H-SLMoS2 and 1T′-SLMoS2. More specifically, the thermal conductivity decreases with increasing tensile strain for 1T′-SLMoS2, but the mechanical strain has weak effects on the thermal conductivity of the 1H-SLMoS2.

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