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Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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Characterization of Thermal Transport in One-dimensional Solid Materials
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Interface thermal conductivities induced by van der Waals interactions.

H M Dong1, H P Liang2, Z H Tao3

  • 1School of Materials Science and Physics, China University of Mining and Technology, Xuzhou 221116, China. yifeng@cumt.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|January 15, 2024
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Summary

Interface heat transfer in van der Waals (vdW) materials is dominated by low-frequency phonons. Strain engineering can enhance thermal conductivity, crucial for designing advanced nanodevices.

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Area of Science:

  • Condensed matter physics
  • Materials science
  • Nanotechnology

Background:

  • Van der Waals (vdW) heterostructures are crucial for advanced electronic and optoelectronic devices.
  • Understanding interface heat transfer is essential for thermal management in these nanodevices.

Purpose of the Study:

  • To theoretically investigate interface heat transfer in two-layer vdW contacts.
  • To explore the influence of temperature and strain on thermal transport properties.

Main Methods:

  • First-principles calculations at low temperatures.
  • Analysis of phonon contributions to thermal transport.

Main Results:

  • Out-of-plane acoustic phonons with low frequencies dominate interface thermal transport.
  • Interface thermal conductivity exhibits a cubic dependence on temperature at very low temperatures, transitioning to a linear dependence at higher temperatures.
  • Applying strain modifies vdW coupling, significantly increasing interfacial thermal conductivity.

Conclusions:

  • Low-frequency phonons are key to heat transfer across vdW interfaces.
  • Strain engineering offers a viable strategy to tune and enhance interfacial thermal conductivity.
  • Findings provide critical insights for optimizing nanodevices utilizing vdW heterostructures.