Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7933164 | Physica E: Low-dimensional Systems and Nanostructures | 2018 | 15 Pages |
Abstract
We perform molecular dynamic simulations to investigate the thermal conductivity of Single-Layer 1H-MoS2 (1H-SLMoS2) and Single-Layer 1Tâ²-MoS2 (1Tâ²-SLMoS2), including the size, temperature, and strain effects. (1) For the size effect, the thermal conductivity of both 1H-SLMoS2 and 1Tâ²-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 1Tâ²-SLMoS2 of the same size. (2) For the temperature effect, our simulation results show that the thermal conductivity of both 1H-SLMoS2 and 1Tâ²-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 1Tâ²-SLMoS2. More specifically, the thermal conductivity decreases with increasing tensile strain for 1Tâ²-SLMoS2, but the mechanical strain has weak effects on the thermal conductivity of the 1H-SLMoS2.
Related Topics
Physical Sciences and Engineering
Materials Science
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Authors
Chao Zhang, Cuixia Wang, Timon Rabczuk,