Multiple valence bands convergence and strong phonon scattering lead to high thermoelectric performance in p-type PbSe

Thermoelectric generators enable the conversion of waste heat to electricity, which is an effective way to alleviate the global energy crisis. However, the inefficiency of thermoelectric materials is the main obstacle for realizing their widespread applications and thus developing materials with high thermoelectric performance is urgent. Here we show that multiple valence bands and strong phonon scattering can be realized simultaneously in p-type PbSe through the incorporation of AgInSe₂. The multiple valleys enable large weighted mobility, indicating enhanced electrical properties. Abundant nano-scale precipitates and dislocations result in strong phonon scattering and thus ultralow lattice thermal conductivity. Consequently, we achieve an exceptional ZT of ~ 1.9 at 873 K in p-type PbSe. This work demonstrates that a combination of band manipulation and microstructure engineering can be realized by tuning the composition, which is expected to be a general strategy for improving the thermoelectric performance in bulk materials.