Largely tunable anisotropic thermal conductivity of pristine and lithiated MoS2

ORAL

Abstract

Understanding heat transport in two-dimensional (2D) layered materials is of importance for potential applications in energy storage, nanoelectronics and optoelectronics. The vibrational properties of 2D layered materials could be tailored in several different ways either by chemical modifications or mechanically. Here we investigate heat transport in MoS2, upon lithium intercalation and cross-plane strain, by first principles calculations. We find that both the in-plane and cross-plane components of the thermal conductivity of MoS2 are extremely sensitive to both strain and electrochemical intercalation. Furthermore, since in-plane thermal conductivity and cross-plane thermal conductivity respond in different ways to intercalation and strain, the thermal conductivity anisotropy can be modulated over two orders of magnitude. The underlying mechanisms for such large tunability of the anisotropic thermal conductivity of MoS2 are explored by computing phonon dispersion relations, relaxation time and mean free paths. Since both intercalation and strain can be applied reversibly their stark effect on the thermal conductivity can be exploited to design novel phononic devices, as well as for thermal management in MoS2-based electronics and optoelectronic systems.

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Authors

  • Shunda Chen

    Univ of California - Davis

  • C. Jennings

    Stanford University, None, none, Univ of California - Merced, Dr. Remeis-Sternwarte & ECAP, Universität Erlangen-Nürnberg, NASA GSFC, Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory, Goddard Space Flight Center-NASA, University of Nevada, Reno, Cal Poly - San Luis Obispo, Victoria University of Wellington, Wellington 6021, New Zealand, Penn State, Micron School of Materials Science & Engineering, Department of Physics, Boise State University, Autonomous University of Zacatecas, Micron School of Materials Science & Engineering, Boise State University, Naval Research Laboratory, Independent Researcher, Cornell University, UC Santa Cruz, Middle Georgia State University, University of California, Merced, Stanford University, California, Institute of Medical Biology, Singapore; Stanford University, California, University of California Merced, Kent State University, ORNL, UC Berkeley, LLNL, Physics, Hokkaido University, Japan, Physics, UC San Diego, Physics, California State University, Fresno, Department of Physics and Astronomy, California State University Long Beach, Long Beach, California 90840, USA, Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA, Department of Physics, Southern University of Science and Technology, Shenzen 518055, China, Virginia Tech, Sotera Defense Solutions, Inc., Univ of California - Santa Cruz, College of Staten Island, UC Irvine, Naval Research Laboratory, Washington, DC 20375, Virginia Tech, Blacksburg, VA 24061, University of California, Merced CA 95343

  • C. Jennings

    Stanford University, None, none, Univ of California - Merced, Dr. Remeis-Sternwarte & ECAP, Universität Erlangen-Nürnberg, NASA GSFC, Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory, Goddard Space Flight Center-NASA, University of Nevada, Reno, Cal Poly - San Luis Obispo, Victoria University of Wellington, Wellington 6021, New Zealand, Penn State, Micron School of Materials Science & Engineering, Department of Physics, Boise State University, Autonomous University of Zacatecas, Micron School of Materials Science & Engineering, Boise State University, Naval Research Laboratory, Independent Researcher, Cornell University, UC Santa Cruz, Middle Georgia State University, University of California, Merced, Stanford University, California, Institute of Medical Biology, Singapore; Stanford University, California, University of California Merced, Kent State University, ORNL, UC Berkeley, LLNL, Physics, Hokkaido University, Japan, Physics, UC San Diego, Physics, California State University, Fresno, Department of Physics and Astronomy, California State University Long Beach, Long Beach, California 90840, USA, Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA, Department of Physics, Southern University of Science and Technology, Shenzen 518055, China, Virginia Tech, Sotera Defense Solutions, Inc., Univ of California - Santa Cruz, College of Staten Island, UC Irvine, Naval Research Laboratory, Washington, DC 20375, Virginia Tech, Blacksburg, VA 24061, University of California, Merced CA 95343

  • C. Jennings

    Stanford University, None, none, Univ of California - Merced, Dr. Remeis-Sternwarte & ECAP, Universität Erlangen-Nürnberg, NASA GSFC, Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory, Goddard Space Flight Center-NASA, University of Nevada, Reno, Cal Poly - San Luis Obispo, Victoria University of Wellington, Wellington 6021, New Zealand, Penn State, Micron School of Materials Science & Engineering, Department of Physics, Boise State University, Autonomous University of Zacatecas, Micron School of Materials Science & Engineering, Boise State University, Naval Research Laboratory, Independent Researcher, Cornell University, UC Santa Cruz, Middle Georgia State University, University of California, Merced, Stanford University, California, Institute of Medical Biology, Singapore; Stanford University, California, University of California Merced, Kent State University, ORNL, UC Berkeley, LLNL, Physics, Hokkaido University, Japan, Physics, UC San Diego, Physics, California State University, Fresno, Department of Physics and Astronomy, California State University Long Beach, Long Beach, California 90840, USA, Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA, Department of Physics, Southern University of Science and Technology, Shenzen 518055, China, Virginia Tech, Sotera Defense Solutions, Inc., Univ of California - Santa Cruz, College of Staten Island, UC Irvine, Naval Research Laboratory, Washington, DC 20375, Virginia Tech, Blacksburg, VA 24061, University of California, Merced CA 95343

  • Davide Donadio

    Univ of California - Davis