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Metallic barrier layer is a key component in thermoelectric (TE) devices, but it is rarely investigated for the recently discovered inorganic ductile TE materials. In this work, we demonstrate that tungsten (W) is the excellent metallic barrier layer for Ag2S1−xSex ductile thermoelectric materials. The phase composition, microstructure, adhesive strength, and interfacial contact resistivity (ρC) of the W/Ag2S1−xSex joint have been systematically investigated. The sputtered W film has high adhesive strength and little interdiffusion/reaction with Ag2S1−xSex. The ρC decreases with increasing the Se content, which can be understood by the Thermionic-field Emission model. This work would guide the development of high-performance flexible TE devices based on ductile TE materials. [ABSTRACT FROM AUTHOR]

In this work, we report the ternary Cu-based chalcogenide, Cu2TiTe3, as a promising thermoelectric material in middle-temperature range. The bonding interaction between Te p and Ti d states is observed in the Ti–Te octahedron, which drives the side bands up converging with Γ band, yielding a high valence band degeneracy of 5. A high electronic quality factor of 2.2 μW cm−1 K−2 and a decent power factor of 7.5 μW cm−1 K−2 at 300 K are achieved for Cu2TiTe3. Likewise, Cu2TiTe3 demonstrates low lattice thermal conductivity throughout the measured temperature range, which is attributed to the low frequency vibration related to the global motion of Ti–Te–Cu clusters. Finally, a maximum figure-of-merit of 0.38 was obtained for Cu2TiTe3 at 600 K. [ABSTRACT FROM AUTHOR]

Recently, defective three-quarter Heusler compounds MCo1.5Sn (M = Ti, Zr, and Hf) have been reported with interesting crystal structure differing from the traditional half-Heusler and full-Heusler compounds. These defective compounds are metallic ferromagnets, but the detailed correlation between magnetic and electrical transport properties is still unclear. In this study, we dope Cu in ZrCo1.5Sn to dilute the magnetic Co atoms with the purpose of clarifying how the magnetism influences the electrical transport properties in the defective three-quarter Heusler compounds. Significantly lowered ferromagnetic transition temperature and decreased saturated magnetic moment are observed in Cu-doped ZrCo1.5Sn due to the diluted Co atoms. Likewise, in the ferromagnetic phase, the dominant carrier scattering mechanism is changed from spin fluctuation scattering to magnetic impurity scattering. The doped Cu atoms introduce non-bonding states below the valence band maximum, resulting in the appearance of a narrow bandgap around 0.1 eV. Correspondingly, the electric transport behavior in the paramagnetic phase shows a semiconducting character with a negative temperature dependence of resistivity. This study provides further understanding to the correlation between magnetic properties and electrical transport properties in defective Heusler-based compounds. [ABSTRACT FROM AUTHOR]

Diamondlike compound Cu2SnS3 has attracted great attention recently due to its excellent thermoelectric performance and the features of being eco-friendly and low cost. However, the underlying mechanism for its good electrical transports under high carrier concentration range is still not clear. In this work, we synthesized a series of Cu2+xSn1−xS3 (x = 0–0.08) samples. These nonstoichiometric Cu2+xSn1−xS3 samples are polymorph simultaneously crystalizing in the monoclinic, tetragonal, and cubic structures. The characterization on the electrical transports and the analysis on the band structure reveal that the large density-of-states effective mass, high Seebeck coefficient, and high mobility under a high carrier concentration in the Cu2+xSn1−xS3 system are originated from the existence of multiple bands near the edge of the valence band. Likewise, the polymorphic structure has little influence on the electrical transports. A maximum power factor of 12.6 μW cm−1 K−2 at 700 K has been obtained for the nonstoichiometric Cu2.08Sn0.92S3. Combining the low lattice thermal conductivity of these samples, Cu2.08Sn0.92S3 shows a peak dimensionless figure of merit of 0.5 at 700 K. This work is helpful for guiding the future optimization of thermoelectric performance on Cu2SnS3. [ABSTRACT FROM AUTHOR]

As the pseudo-binary alloys between GeTe and Sb2Te3, GeSbTe-based compounds are promising thermoelectric materials. Although Ge2Sb2Te5 and GeSb2Te4 have widely been studied, the thermoelectric properties of GeSb4Te7 have not been well understood yet. In this work, we design a series of GeSb4-xBixTe7 solid solutions and systematically study the variation in the crystal structure, electrical, and thermal transport properties. Alloying Bi effectively reduces the carrier concentration and, thus, enhances the Seebeck coefficient. Meanwhile, the thermal conductivity is greatly reduced via large mass fluctuations. A maximum zT of 0.69 at 550 K and an average zT value of 0.52 between 300 and 700 K have been achieved for GeSb1.5Bi2.5Te7. These findings will promote the understanding and development of GeSbTe-based thermoelectric materials. [ABSTRACT FROM AUTHOR]

Recently, a deformable and ductile inorganic semiconductor Ag2S has attracted intense attention due to its potential application in self-powered wearable and hetero-shaped electronics. However, the thermoelectric figure of merit (zT) of Ag2S is greatly limited by its extremely low carrier concentration. In this study, via doping I into Ag2S-based materials, we tune the carrier concentration into the optimal range as well as suppressing the lattice thermal conductivity. A maximum zT value of 0.26 is achieved for Ag2S0.7Se0.295I0.005 at 300 K, about three times higher than the matrix compound. More importantly, doping I has little effect on the ductility and deformability of Ag2S-based materials. Our study shows that I-doped Ag2S-based materials are good candidates for developing flexible thermoelectric technologies. [ABSTRACT FROM AUTHOR]

Pseudo-binary GeSbTe alloys, best known as phase-change materials, are quasi-two-dimensional semiconductors in their stable trigonal phases with high electrical conductivity and low thermal conductivity, but their thermoelectric properties have not been systematically investigated. Here, in this letter, we prepared polycrystalline Ge2Sb2Te5, GeSb2Te4, and GeSb4Te7 bulk materials and studied the thermoelectric transport properties. Large anisotropy in Seebeck coefficient as well as in electrical conductivity is observed, which is not commonly reported in polycrystalline thermoelectric materials. Combining experimental study and theoretical calculations, one can find that this phenomenon is attributed to the asymmetry of a material's band structure. Maximal zT values of 0.46–0.60 are achieved at 750 K, indicating that GeSbTe-based compounds are promising thermoelectric materials for mid-temperature applications. [ABSTRACT FROM AUTHOR]

In this work, we report the ternary Cu-based chalcogenide, Cu2TiTe3, as a promising thermoelectric material in middle-temperature range. The bonding interaction between Te p and Ti d states is observed in the Ti–Te octahedron, which drives the side bands up converging with Γ band, yielding a high valence band degeneracy of 5. A high electronic quality factor of 2.2 μW cm−1 K−2 and a decent power factor of 7.5 μW cm−1 K−2 at 300 K are achieved for Cu2TiTe3. Likewise, Cu2TiTe3 demonstrates low lattice thermal conductivity throughout the measured temperature range, which is attributed to the low frequency vibration related to the global motion of Ti–Te–Cu clusters. Finally, a maximum figure-of-merit of 0.38 was obtained for Cu2TiTe3 at 600 K. [ABSTRACT FROM AUTHOR]