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We herein report the significantly improved thermoelectric performance of n-type Bi2Te2.7Se0.3 polycrystalline bulks through band structure engineering achieved by Au-doping. The Seebeck coefficient can be increased for both Bi2Te2.7Se0.3 and Cu-intercalated Bi2Te2.7Se0.3 bulks by doping Au on the Bi site, either due to the addition of the resonant state or the enhancement of density of states (DOS) effective mass md*. Theoretical calculations combined with experimental measurements showed that band engineering connected with chemical potential tuning results in higher DOS at the bottom of the conduction band and increases the md* from ∼0.88m0 (Bi2Te2.7Se0.3) to ∼1.06m0 (Cu0.008Bi1.99Au0.01Te2.7Se0.3). As a consequence, a peak thermoelectric figure of merit ZT∼0.91 was obtained at 320 K for Cu0.008Bi1.99Au0.01Te2.7Se0.3, which is ∼40% and ∼25% enhancement in comparison with Bi2Te2.7Se0.3 and Cu0.008Bi2Te2.7Se0.3, respectively. [ABSTRACT FROM AUTHOR]

Thermoelectrics, which transports heat for refrigeration or converts heat into electricity directly, is a key technology for renewable energy harvesting and solid-state refrigeration. Despite its importance, the widespread use of thermoelectric devices is constrained because of the low efficiency of thermoelectric bulk alloys. However, boundary engineering has been demonstrated as one of the most effective ways to enhance the thermoelectric performance of conventional thermoelectric materials such as Bi2Te3, PbTe, and SiGe alloys because their thermal and electronic transport properties can be manipulated separately by this approach. We review our recent progress on the enhancement of the thermoelectric figure of merit through boundary engineering together with the processing technologies for boundary engineering developed most recently using Bi2Te3-based bulk alloys. A brief discussion of the principles and current status of boundary-engineered bulk alloys for the enhancement of the thermoelectric figure of merit is presented. We focus mainly on (1) the reduction of the thermal conductivity by grain boundary engineering and (2) the reduction of thermal conductivity without deterioration of the electrical conductivity by phase boundary engineering. We also discuss the next potential approach using two boundary engineering strategies for a breakthrough in the area of bulk thermoelectric alloys. [ABSTRACT FROM AUTHOR]

Pavonite homologues, Cux+yBi5−ySe8 (1.2 ≤x≤ 1.5, 0.1 ≤y≤ 0.4), in a polycrystalline bulk form have been synthesized using a conventional solid state sintering technique. Their thermal and electronic transport properties were evaluated for mid-temperature thermoelectric power generation applications. Structural complexity, based on unique substitutional and interstitial Cu atoms in the structure, makes this system attractive as an intrinsic low thermal conductivity material; also the band structure calculations revealed that interstitial Cu atoms generate n-type carrier conduction. Room temperature lattice thermal conductivities ranging between 0.41 W m−1 K−1 and 0.55 W m−1 K−1 were found for Cux+yBi5−ySe8; these values are comparable to those of the state-of-the-art low lattice thermal conductivity systems. These extremely low thermal conductivities combined with the power factors result in the highest ZT = 0.27 at 560 K for Cu1.9Bi4.6Se8. [ABSTRACT FROM AUTHOR]

Review: 148 refs. [ABSTRACT FROM AUTHOR]

Transition metal oxide thin films show versatile electric, magnetic, and thermal properties which can be tailored by deliberately introducing macroscopic grain boundaries via polycrystalline solids. In this study, we focus on the modification of magnetic and thermal transport properties by fabricating single- and polycrystalline epitaxial SrRuO 3 thin films using pulsed laser epitaxy. Using the epitaxial stabilization technique with an atomically flat polycrystalline SrTiO 3 substrate, an epitaxial polycrystalline SrRuO 3 thin film with the crystalline quality of each grain comparable to that of its single-crystalline counterpart is realized. In particular, alleviated compressive strain near the grain boundaries due to coalescence is evidenced structurally, which induced the enhancement of ferromagnetic ordering of the polycrystalline epitaxial thin film. The structural variations associated with the grain boundaries further reduce the thermal conductivity without deteriorating the electronic transport, and lead to an enhanced thermoelectric efficiency in the epitaxial polycrystalline thin films, compared with their single-crystalline counterpart.

The self-propagating exothermic chemical reaction with transient thermovoltage, known as the thermopower wave, has received considerable attention recently. A greater peak voltage and specific power are still demanded, and materials with greater Seebeck coefficients have been previously investigated. However, this study employs an alternative mechanism of transient chemical potential gradient providing an unprecedentedly high peak voltage (maximum: 8 V; average: 2.3 V) and volume-specific power (maximum: 0.11 W mm -3 ; average: 0.04 W mm -3 ) using n-type single-crystalline Bi 2 Te 3 substrates. A mixture of nitrocellulose and sodium azide is used as a fuel, and ultraviolet photoelectron spectroscopy reveals a significant downshift in Fermi energy (≈5.09 eV) of the substrate by p-doping of the fuel. The induced electrical potential by thermopower waves has two distinct sources: the Seebeck effect and the transient chemical potential gradient. Surprisingly, the Seebeck effect contribution is less than 2.5% (≈201 mV) of the maximum peak voltage. The right combination of substrate, fuel doping, and anisotropic substrate geometry results in an order of magnitude greater transient chemical potential gradient (≈5.09 eV) upon rapid removal of fuel by exothermic chemical reaction propagation. The role of fuel doping and chemical potential gradient can be viewed as a key mechanism for enhanced heat to electric conversion performance., (© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Structural defects often dominate the electronic- and thermal-transport properties of thermoelectric (TE) materials and are thus a central ingredient for improving their performance. However, understanding the relationship between TE performance and the disordered atomic defects that are generally inherent in nanostructured alloys remains a challenge. Herein, the use of scanning transmission electron microscopy to visualize atomic defects directly is described and disordered atomic-scale defects are demonstrated to be responsible for the enhancement of TE performance in nanostructured Ti 1- x Hf x NiSn 1- y Sb y half-Heusler alloys. The disordered defects at all atomic sites induce a local composition fluctuation, effectively scattering phonons and improving the power factor. It is observed that the Ni interstitial and Ti,Hf/Sn antisite defects are collectively formed, leading to significant atomic disorder that causes the additional reduction of lattice thermal conductivity. The Ti 1- x Hf x NiSn 1- y Sb y alloys containing inherent atomic-scale defect disorders are produced in one hour by a newly developed process of temperature-regulated rapid solidification followed by sintering. The collective atomic-scale defect disorder improves the zT to 1.09 ± 0.12 at 800 K for the Ti 0.5 Hf 0.5 NiSn 0.98 Sb 0.02 alloy. These results provide a promising avenue for improving the TE performance of state-of-the-art materials., (© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

The substitutional doping approach has been shown to be an effective strategy to improve ZT of Bi₂Te₃-based thermoelectric raw materials. We herein report the Fe-doping effects on electronic and thermal transport properties of polycrystalline bulks of p -type Bi 0.48 Sb 1.52 Te₃. After a small amount of Fe-doping on Bi/Sb-sites, the power factor could be enhanced due to the optimization of carrier concentration. Additionally, lattice thermal conductivity was reduced by the intensified point-defect phonon scattering originating from the mass difference between the host atoms (Bi/Sb) and dopants (Fe). An enhanced ZT of 1.09 at 300 K was obtained in 1.0 at% Fe-doped Bi 0.48 Sb 1.52 Te₃ by these synergetic effects.