A5098728420- Advanced Thermoelectric Materials and Devices
- Thermal properties of materials
- Chalcogenide Semiconductor Thin Films
- Thermal Radiation and Cooling Technologies
- Heusler alloys: electronic and magnetic properties
- Thermal Expansion and Ionic Conductivity
- Semiconductor materials and interfaces
- Magnetic and transport properties of perovskites and related materials
- Machine Learning in Materials Science
Liaoning Technical University
2024-2025
Materials Science & Engineering
2025
The synergistic role of lone pair electrons and rattling vibrations in inducing low lattice thermal conductivity excellent thermoelectric performance the BaCaPb compound are elucidated with a two-channel model.
In the current work, crystal structure, phonon, electronic transport, and thermoelectric (TE) properties of NaCdX (X = As, Sb) compounds are systematically investigated through first-principles calculations, Boltzmann transport theory, a two-channel model. The Na+ ion in vibrates along different directions due to X lone-pair electrons. Consequently, pronounced anisotropy is discovered for lattice thermal conductivity. synergistic effect electrons atoms "static insulation rattling-like...
Layered BaFZnP compound, characterized by a supercell structure with the stacking axis perpendicular to [Ba2F2]2+ and [Zn2P2]2– layers, has garnered special attention in thermoelectric (TE) materials. In current work, crystal structure, thermal electronic transport properties, performance of compound are explored through first-principles calculations Boltzmann theory. The layered exhibits direct band gap 1.24 eV, featuring degeneracy structure. Due weak interlayer interactions along...
The thermoelectric performance of XMg2Bi2 (X = Sr, Ba) materials is systematically investigated through integrated first-principles calculations, Boltzmann transport theory, and a two-channel model in this work. temperature-activated static-dynamic transition X atoms vibrations induces Janus effect phonons, facilitating dual phonon regimes characterized by normal diffusons. comparable ionicity between X2+ [Mg2Bi2]2- layers disrupts the conventional Zintl-phase characteristics, leading to an...