Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb2Te3 thermoelectric materials.

The data presented in this article relate to the research article entitled "Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range" [T. Oku et al., Mater. Today Phys. 20 (2021) 100484 (10.1016/j.mtphys.2021.100484)]. Polycrystalline (GeTe) n Sb2Te3 (n = 10, 12, 16, 20, and 24) bulk samples were prepared by melting and annealing. The Ge defect concentration of each composition was estimated from Rietveld refinement of the synchrotron X-ray powder diffraction patterns. Electrical properties, such as the electrical resistivity and Seebeck coefficient, were measured from three specimens of each composition to confirm reproducibility. Electronic-band-structure parameters and electronic density-of-states of each composition were obtained by first-principles calculations.

Chalcopyrite ZnSnSb2: A Promising Thermoelectric Material.

Ternary compounds with a tetragonal chalcopyrite structure, such as CuGaTe2, are promising thermoelectric (TE) materials. It has been demonstrated in various chalcopyrite systems, including compounds with quaternary chalcopyrite-like structures, that the lattice parameter ratio, c/ a, being exactly 2.00 to have a pseudo-cubic structure is key to increase the degeneracy at the valence band edge and ultimately achieve high TE performance. Considering the fact that ZnSnSb2 with a chalcopyrite structure is reported to have c/ a close to 2.00, it is expected to have multiple valence bands leading to a high p-type zT. However, there are no complete investigations on the high temperature TE properties of ZnSnSb2 mainly because of the difficulty of obtaining a single-phase ZnSnSb2. In the present study, pure ZnSnSb2 samples with no impurities are synthesized successfully using a Sn flux-based method and TE properties are characterized up to 585 K. Transport properties and thermal analysis indicate that the structure of ZnSnSb2 remains chalcopyrite with no order-disorder transition and clearly show that ZnSnSb2 can be made to exhibit a high zT in the low-to-mid temperature range through further optimization.

A high performance photothermal film with spherical shell-type metallic nanocomposites for solar thermoelectric conversion.

A photothermal film (PTF) with densely assembled gold nanoparticle-fixed beads on a polymer substrate is fabricated. Remarkably, a temperature rise higher than 40 °C is achieved in the PTF with only 100 seconds of artificial solar irradiation, and the output power of the thermoelectric device was enhanced to be one order higher than that without PTF. These results will pioneer a rapid solar thermoelectric device.

Bottom-up nanostructured bulk silicon: a practical high-efficiency thermoelectric material.

The effectiveness of thermoelectric (TE) materials is quantified by the dimensionless figure of merit (zT). An ideal way to enhance zT is by scattering phonons without scattering electrons. Here we show that, using a simple bottom-up method, we can prepare bulk nanostructured Si that exhibits an exceptionally high zT of 0.6 at 1050 K, at least three times higher than that of the optimized bulk Si. The nanoscale precipitates in this material connected coherently or semi-coherently with the Si matrix, effectively scattering heat-carrying phonons without significantly influencing the material's electron transport properties, leading to the high zT.

Room-temperature pressure-induced nanostructural CuInTe(2) thermoelectric material with low thermal conductivity.

A room-temperature high-pressure synthesis method is proposed as an alternative way to induce nanoscale structural disorder in the bulk thermoelectric CuInTe2 matrix. This disorder stems from the coexistence of distinct domains with different degrees and geometries of disorder at Cu/In cation sites. The lattice thermal conductivity of high-pressure-treated CuInTe2 is substantially less than that of hot-pressed CuInTe2. The Debye-Callaway model reveals that the reduced lattice thermal conductivity is mainly attributed to disorder at the Cu/In cation sites and stacking faults, which were probably created during formation of the high-pressure-treated phases. This study demonstrates that room-temperature high-pressure synthesis can produce a radical change in the crystal structure and physical properties of conventional thermoelectric materials.

Chalcopyrite CuGaTe(2): a high-efficiency bulk thermoelectric material.

CuGaTe(2) with a chalcopyrite structure demonstrates promising thermoelectric properties. The maximum figure of merit ZT is 1.4 at 950 K. CuGaTe(2) and related chalcopyrites are a new class of high-efficiency bulk thermoelectric material for high-temperature applications.