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Figure 1. (a) Our optimization mechanism for p-type polycrystalline SnSe with a cubic structure. The isoelectronic doping of Pb and Ge promoted band divergence, reduced the effective mass m*, and enhanced the carrier mobility μ. Substitution of Pb and Ge at cation sites with unequal atomic numbers generated numerous cation vacancies, which induced various defects, effectively reducing thermal conductivity and enabling carrier–phonon decoupling. (b) The maximum cooling temperature difference ΔTmax and maximum conversion efficiency ηmax for cubic SnSe/Bi2 (Te, Se)3 (BTS)-based devices. The inset shows the thermoelectric devices. The thermoelectric properties of (SnSe)0.6(Ag1-4xPbxGexSbTe2)0.4 (x = 0, 0.02, 0.04, 0.06, and 0.08) are as follows: (c) Power factor, PF. (d) Total thermal conductivity, κtot. (e) ZT and ZTave (300–673 K) values. (f, g) Electronic band structures calculated for (f) (SnSe)0.6(AgSbTe2)0.4 and (g) (SnSe)0.6(Ag0.84Pb0.04Ge0.04SbTe2)0.4. (h) The corresponding density of states.

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