A5104255786- Advanced Thermoelectric Materials and Devices
- Thermal properties of materials
- Chalcogenide Semiconductor Thin Films
- 2D Materials and Applications
- Thermal Radiation and Cooling Technologies
- Magnetic and transport properties of perovskites and related materials
- Advanced Thermodynamics and Statistical Mechanics
- Optical properties and cooling technologies in crystalline materials
- Machine Learning in Materials Science
- Thermal Expansion and Ionic Conductivity
- Heusler alloys: electronic and magnetic properties
Liaoning Technical University
2023-2025
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...
Inspired by the excellent stability of exhibited experimentally synthesized two-dimensional (2D) MoSi2N4 layered material, thermal and electronic transport, thermoelectric (TE) properties MgAl2Te4 monolayer are systematically investigated using First-principles calculations Boltzmann transport theory. The mechanical stability, dynamic (900 K) demonstrated, respectively. exhibits a bandgap 1.35 eV HSE06 functional in combination with spin-orbit coupling (SOC) effect. Band convergence valence...
Inspired by the excellent thermal transport properties of layered BiCuOX (X = S, Se, Te) materials, electronic structure, mechanical, and isostructural Ag-based BiAgOTe material are investigated using first-principles calculations in combination with Boltzmann theory. Layered is an indirect bandgap semiconductor a 1.19 eV Heyd–Scuseria–Ernzerhof (HSE06) functional. The elastic constants shear modulus satisfy Born–Huang criterion, highlighting high mechanical stability pronounced resistance....
Layered NdCuOTe material exhibits excellent thermoelectric properties on account of the bonding inhomogeneity, antibonding state, and band degeneracy.