Lonesome <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>Ag</mml:mi></mml:math> Atoms Drive Ultralow Thermal Conductivity in Argyrodite <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Ag</mml:mi><mml:mn>8</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi>Sn</mml:mi><mml:mi>Se</mml:mi></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:math>
Abstrak
Because of their rapid ionic diffusion, Ag-based argyrodites have great potential as solid-state electrolytes. The fundamental thermal transport in these materials is important for the overall all-solid-state battery design. Using an accurate framework and a unified heat-transport theory, we compute both the particle-like (κp) and the glass-like (κc) components of the lattice thermal conductivity (κL) of Ag8SnSe6 in the orthorhombic phase. Despite being a crystal, Ag8SnSe6 exhibits an exceptionally low room-temperature κL=κp+κc of 0.274 W/mK, which is nearly temperature independent over the 100–350 K range. This unusual behavior is linked to the lonesome Ag atoms, which, in this temperature range, exhibit intense vibrations while remaining weakly bonded to the Sn-Se framework. While their bonding anharmonicity significantly reduces κp, the Ag-dominated extended vibrations make κc the primary heat-transfer mode. By unveiling the role of Ag in the heat transport of Ag8SnSe6, we support the notion that the bonding and structural characteristics responsible for fast ionic conduction can also help identify extreme materials with glass-like thermal transport.
Penulis (4)
Yatian Zhang
Thomas Frauenheim
Traian Dumitrică
Zhen Tong
Format Sitasi
Akses Cepat
- Tahun Terbit
- 2025
- Bahasa
- en
- Total Sitasi
- 4×
- Sumber Database
- CrossRef
- DOI
- 10.1103/prxenergy.4.013012
- Akses
- Open Access ✓