“…Considering the thermal matching in real applications, it is useful to achieve excellent n-type and p-type thermoelectric properties in the same parent materials, which highlights the importance of ZrCoSb and ZrCoBi-based HH compounds. Recent studies indicate that through electron doping, substituting V, Nb, and/or Ta for Zr and substituting Ni for Co could improve the thermoelectric properties of n-type ZrCoSb-based HH alloys. , Among them, n-type Zr 0.86 Ta 0.14 CoSb achieves a zT of 0.8 at 973 K. For p-type ZrCoSb, substituting Fe, Ru for Co , or substituting Sn for Sb could improve their thermoelectric properties. For instance, p-type Zr 0.44 Ti 0.12 CoSb 0.8 Sn 0.2 has the zT value of 0.97 at 973 K, and p-type Zr 0.5 Hf 0.5 CoSb 0.8 Sn 0.2 has the zT value of 0.93 at 1123 K. , For ZrCoBi, zirconium (Zr) atoms have four valence electrons, cobalt (Co) atoms have nine valence electrons, and bismuth (Bi) atoms have five valence electrons.…”