Recent progress in multiscale synergistic optimization of thermoelectric materials: from structural regulation to mechanistic innovation

Abstract With the gradual depletion of fossil fuels and the urgent need for energy transition, thermoelectric (TE) materials have attracted considerable attention due to their ability to directly convert waste heat into electrical energy. In recent years, the rapid development of structural regulation, band engineering, and advanced computational prediction methods has facilitated performance breakthroughs, with multiple types of TE materials achieving ZT > 2 in specific temperature ranges. This review systematically summarizes recent progress in TE materials, with a particular focus on three core aspects: structural characteristics, lattice thermal conductivity regulation, and power factor enhancement. The underlying physical mechanisms and engineering strategies for performance optimization are thoroughly analyzed, aiming to provide theoretical guidance and technical reference for the design and development of high-performance TE materials.