We report low thermal conductivity for n-type cobalt skutterudites synthesized via a rapid hydrothermal procedure combined with evacuated-and-encapsulated heating.
The high‐temperature phase of β‐Cu2Se always appears as the major phase for the reaction carried out using chemical solution methods. Here, a procedure was developed that could fabricate a single phase of α‐Cu2Se1−xTex (x=0.02 and 0.04) by room‐temperature aqueous synthesis using NaBH4 as reducing agent followed by cold pressing and sintering at 650 °C for 6 h in a flowing gas mixture of 20 % H2 and 80 % N2. The energy‐efficient synthesis carried out at room temperature abides by the 6th principle for green chemistry with less energy consumption. The reaction mechanism was studied, and evidence was provided of α‐Cu2Se being formed via the reaction between elemental Cu and Se atoms at room temperature. The resulting materials were characterized by powder X‐ray diffraction, field‐emission scanning electron microscopy, thermoelectric transport measurements, and Hall measurements. Cu1.96Se0.96Te0.04 had the highest power factor of 11 μW cm−1 K−2 at 818 K, and Cu2Se0.96Te0.04 had the maximum zT≥1.4 at T≥920 K among this series of materials.
We develop an algorithm called SKBcal to conveniently calculate within minutes the thermoelectric transport parameters such as reduced Fermi level (η), electronic thermal conductivity (κe), lattice thermal conductivity (κl), Hall factor (A), effective mass (m*), quality factor (β) and theoretical zT within the framework of single Kane band (SKB) model. The generalized Fermi–Dirac integral for SKB model is integrated by left Riemann integral method. A concept of significant digits of relative error is involved to determine the accuracy of calculation. Furthermore, a combined program of "For" and "While" is coded to set up an iteration for refining the reduced Fermi level. To easily obtain the quality factor, we re-derive the expression into a formula related to carrier mobility. The results calculated by SKBcal are consistent with the data reported in the literatures.
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