Intensified Phonon Scattering in ZrCoBi Half-Heusler by Noble Metals Doping.

ZrCoBi-based half-Heuslers have great potential in power generation applications because of their high thermoelectric performance in both p- and n-type constituents. In this work, n-type ZrCoBi with improved thermoelectric performance has been realized by intensifying the phonon scattering via noble metal doping, e.g., Pd and Pt doping. The carrier concentration was effectively tuned to the optimal range, and the lattice thermal conductivity was greatly suppressed via the strong strain field and mass fluctuation scattering brought about by the large difference in atomic size and mass between Pd or Pt and Co. Consequently, the state-of-art figure of merit zT ∼1 was achieved in Pd- or Pt-doped ZrCoBi. In addition, the average zT avg values for ZrCo 0.95 Pd 0.05 Bi and ZrCo 0.925 Pt 0.075 Bi have reached 0.58 and 0.51, respectively, which are higher than those of most of the reported n-type ZrCoBi-based and ZrCoSb-based half-Heusler alloys.