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

Chao Zhang, Cuixia Wang, Timon Rabczuk

Research output: Contribution to journalArticle

3 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 languageEnglish
Pages (from-to)294-299
Number of pages6
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Volume103
DOIs
Publication statusPublished - 2018 Sep 1
Externally publishedYes

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

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