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Strain Engineering of Thermal Conductivity of Two-Dimensional MoS2 and h-BN

Published online by Cambridge University Press:  28 June 2016

Xiaonan Wang  and
Alireza Tabarraei
Xiaonan Wang
Affiliation:
Department of Mechanical Engineering and Engineering Science, University of North Carolina at Charlotte, Charlotte, NC28223-0001, U.S. A.
Alireza Tabarraei*
Affiliation:
Department of Mechanical Engineering and Engineering Science, University of North Carolina at Charlotte, Charlotte, NC28223-0001, U.S. A.
*
*(Email: atabarra@uncc.edu)
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Abstract

We have used reverse nonequlibrium molecular dynamics modeling to study the impact of uniaxial stretching on the thermal conductivity of monolayer molybdenum disulfide (MoS2) and hexagonal boron nitride (h-BN). Our results predict an anomalous response of the thermal conductivity of these materials to normal strain. Thermal conductivity of h-BN increases under a tensile strain whereas thermal conductivity of MoS2 remains fairly constant. These are in striking contrast to the impact of tensile strain on the thermal conductivity of three dimensional materials whose thermal conductivity decreases under tensile strain. We investigate the mechanism responsible for this unexpected behavior by studying the impact of tensile strain on the phonon dispersion curves and group velocities of these materials.

Keywords

thermal conductivitynanoscaleMo
Type
Articles
Information
MRS Advances , Volume 1 , Issue 32: Nanotechnology , 2016 , pp. 2297 - 2302
Copyright
Copyright © Materials Research Society 2016 

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References

REFERENCES

Huang, X., Wang, S., Zhu, M., Yang, K., Jiang, P., Bando, Y., Golberg, D., and Zhi, C., Nanotechnology, 26, 015705 (2015).CrossRefGoogle Scholar
Yan, Wei, Zhang, Yi, Sun, Huawei, Liu, Siwei, Chi, Zhenguo, Chen, Xudong, and Xu, Jiarui, J. Mater. Chem. A, 2, 20958–20965 (2014).Google Scholar
Wang, X., Tabarraei, A., and Spearot, D. E., Nanotechnology, 26, 175703 (2015).CrossRefGoogle Scholar
Tabarraei, Alireza, Computational Materials Science, 108, 66–71 (2015).CrossRefGoogle Scholar
Tabarraei, Alireza and Wang, Xiaonan, Materials Science and Engineering: A, 641, 225–230 (2015).Google Scholar
Buscema, M., Barkelid, M., Zwiller, V., van der Zant, H. S., Steele, G. A., and Castellanos-Gomez, A., Nano Lett, 13, 358–63 (2013).Google Scholar
Plimpton, Steve, Journal of computational physics, 117, 1–19 (1995).Google Scholar
Sevik, Cem, Kinaci, Alper, Haskins, Justin B., and Çağın, Tahir, Physical Review B, 84, (2011).Google Scholar
Jiang, J. W., Nanotechnology, 26, 315706 (2015).Google Scholar
Müller-Plathe, Florian, The Journal of Chemical Physics, 106, 6082 (1997).Google Scholar
Bhowmick, S. and Shenoy, V. B., J Chem Phys, 125, 164513 (2006).Google Scholar
Alaghemandi, Mohammad, Leroy, Frédéric, Müller-Plathe, Florian, and Böhm, Michael C., Physical Review B, 81, (2010).CrossRefGoogle Scholar
Ti Kong, Ling, Computer Physics Communications, 182, 2201–2207 (2011).Google Scholar