High Thermoelectric Performance of Cu-Doped PbSe-PbS System Enabled by High-Throughput Experimental Screening
Influence of S alloying on physical properties of PbSeS predicted by theoretical considerations. S content dependence of (a) density-of-state effective mass of the conduction band, (b) Hall mobility, (c) lattice thermal conductivity, and (d) quality factor β. The opened symbol presented in (a) was taken from Ref. . The solid lines in (b) are theoretical results of the Hall mobility based on the SKB model with the assumption that acoustic phonon and alloying scattering dominate electron transport. The Pisarenko relations for PbSe-PbS at 300 K and 850 K can be found in Figure S3. The solid lines in (c) are obtained from Klemens’ model. The solid lines in (d) are the calculated results based on (a–c). The calculation detail and the physical parameters for modeling (Table S3) can be found in the Supplementary material.