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February 5, 2026Physical Chemistry Chemical Physics0 citations

Ultra-Low Lattice Thermal Conductivity and Thermoelectric Performance in Monolayer Mg 3 As 2 and Mg 3 SbAs

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TYTao YuXDXi-Long DouYLYahui Li

Key Points

  • The research aims to explore the thermoelectric performance of magnesium-based Zintl-phase compounds, focusing on their thermal conductivity.
  • Utilized first-principles calculations to assess material properties.
  • Applied Boltzmann theory to evaluate thermoelectric performance.
  • Focused on monolayer Mg3As2 and Mg3SbAs compounds.
  • Identified ultra-low lattice thermal conductivity in both materials.
  • Demonstrated enhanced thermoelectric performance compared to conventional materials.
  • Highlighted the potential for widespread application in thermoelectric devices.

Abstract

Developing magnesium-based Zintl-phase compounds has been highlighted as a promising approach to promote the widespread application of thermoelectric (TE) technology. Using a combination of first-principles and Boltzmann theory, we demonstrate...

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Cite This Study

Yu et al. (2026) studied this question.

synapsesocial.com/papers/69843583f1d9ada3c1fb45f6https://doi.org/10.1039/d5cp04068j
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