The Effect of Cu Addition on the System Stability and Thermoelectric Properties of Bi2Te3

Cu-doped Bi₂Te₃ nanopowders with nominal composition Cu _x Bi₂Te₃ (x = 0, 0.01, 0.025, and 0.05) were synthesized by a gas-induced-reduction method using TeO₂, Bi(NO₃)₃·5H₂O and Cu(NO₃)₂·3H₂O as raw materials and then hot-pressed into bulk materials. x-Ray diffraction (XRD) analysis indicates that, when x ≠ 0, pure Cu _x Bi₂Te₃ phase was obtained, and that when x = 0, Bi₂Te₃ mixed with a small amount of Bi₂TeO₅ was obtained. Field emission scanning electron microscopy observation reveals that Cu addition significantly reduces the grain sizes of the materials. First-principle calculations show that the order of the free energies of the materials is: Cu-doped Bi₂Te₃ (substitution of Cu for Bi) < Cu intercalated Bi₂Te₃ < Bi₂Te₃. The electrical and thermal conductivities decrease and the Seebeck coefficient increases with Cu addition. The maximum figure of merit, ZT, reaches 0.67 at 500 K for a Cu_0.05Bi₂Te₃ sample.