In_4Se_3-based materials are noticeable n-type thermoelectric materials because of lead-free and intrinsically low lattice thermal conductivity,but the In4Se_3-δ crystals（with Se-deficiency,δ） suffer strong anisot...In_4Se_3-based materials are noticeable n-type thermoelectric materials because of lead-free and intrinsically low lattice thermal conductivity,but the In4Se_3-δ crystals（with Se-deficiency,δ） suffer strong anisotropy and cleavage habit. Thus the researches on polycrystalline In_4Se_3-based materials are of great importance. Herein,we experimentally and theoretically investigated the thermoelectric properties of In_（4-x）Se_（2.95）Ag_x polycrystalline compounds. Ag occupying the intercalation or In4 site is energetically most favorable in light of the density functional theory calculation. The maximum solubility of Ag（x_m） is very low（xm 〈 0.03） and the experimental result indicates that the electrical transport behavior of In_（4-x）Se_（2.95）Ag_x compounds is not significantly optimized by Ag-dopant. Consequently,a maximum ZT of 0.92 at 723 K is obtained by In_（3.98）Se_（2.95）Ag_（0.02） compound that represents 15% enhancement over that of the un-doped one which benefits from the slightly enhanced power factor and the reduced total thermal conductivity.展开更多
基金supported by the National Natural Science Foundation of China(91422303,21225104,21571020,21233009,and 21301175)
文摘In_4Se_3-based materials are noticeable n-type thermoelectric materials because of lead-free and intrinsically low lattice thermal conductivity,but the In4Se_3-δ crystals（with Se-deficiency,δ） suffer strong anisotropy and cleavage habit. Thus the researches on polycrystalline In_4Se_3-based materials are of great importance. Herein,we experimentally and theoretically investigated the thermoelectric properties of In_（4-x）Se_（2.95）Ag_x polycrystalline compounds. Ag occupying the intercalation or In4 site is energetically most favorable in light of the density functional theory calculation. The maximum solubility of Ag（x_m） is very low（xm 〈 0.03） and the experimental result indicates that the electrical transport behavior of In_（4-x）Se_（2.95）Ag_x compounds is not significantly optimized by Ag-dopant. Consequently,a maximum ZT of 0.92 at 723 K is obtained by In_（3.98）Se_（2.95）Ag_（0.02） compound that represents 15% enhancement over that of the un-doped one which benefits from the slightly enhanced power factor and the reduced total thermal conductivity.
