New promising bulk thermoelectrics: intermetallics, pnictides and chalcogenides

Gonçalves, A.P.; Godart, C.

doi:10.1140/epjb/e2014-40989-3

Cited by 75 publications

(64 citation statements)

References 400 publications

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“…88 Some of these new materials exhibit very high performance; for example, the peak zT of SnSe was recently measured to be 2.6 at 923 K, the highest for any material reported thus far. 84 Other new materials are abundant and potentially low cost, such as the tetrahedrite structures 85 that are already being tested commercially by Alphabet Energy in large 25 kW thermoelectric generators.…”

Section: Discussionmentioning

confidence: 99%

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

et al. 2016

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We present an overview and preliminary analysis of computed thermoelectric properties for more than 48 000 inorganic compounds from the Materials Project (MP). We compare our calculations with available experimental data to evaluate the accuracy of different approximations in predicting thermoelectric properties. We observe fair agreement between experiment and computation for the maximum Seebeck coefficient determined with MP band structures and the BoltzTraP code under a constant relaxation time approximation (R 2 = 0.79). We additionally find that scissoring the band gap to the experimental value improves the agreement. We find that power factors calculated with a constant and universal relaxation time approximation show much poorer agreement with experiment (R 2 = 0.33). We test two minimum thermal conductivity models (Clarke and Cahill-Pohl), finding that both these models reproduce measured values fairly accurately (R 2 = 0.82) using parameters obtained from computation. Additionally, we analyze this data set to gain broad insights into the effects of chemistry, crystal structure, and electronic structure on thermoelectric properties. For example, our computations indicate that oxide band structures tend to produce lower power factors than those of sulfides, selenides, and tellurides, even under the same doping and relaxation time constraints. We also list families of compounds identified to possess high valley degeneracies.Finally, we present a clustering analysis of our results. We expect that these studies should help guide and assess future high-throughput computational screening studies of thermoelectric materials.

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Section: Discussionmentioning

confidence: 99%

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

et al. 2016

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“…One example is in vehicles, where only ∼10% of the energy produced from burning petrol in the internal combustion engine is converted to useful work, while the rest is wasted. [1] Another example is in steel works. According to the statistics, [2] around 10 9 J of heat would be wasted in the course of producing 1 ton of crude steel.…”

Section: Introductionmentioning

confidence: 99%

“…Thermoelectric technology has a few distinct advantages, including: (1) it is reliable and operates in silence compared with other energy conversion technologies, as it works without mechanical movement;…”

Section: Introductionmentioning

confidence: 99%

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Han

Sun

et al. 2016

Advanced Energy Materials

173

114

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Due to the urgency of our energy and environmental issues, a variety of cost-effective and pollution-free technologies have attracted considerable attention, among which thermoelectric technology has made enormous progress. Substantial numbers of new thermoelectric materials are created with high figure of merit (ZT) by using advanced nanoscience and nanotechnology. This is especially true in the case of metalchalcogenide-based materials, which possess both relatively high ZT and low cost among all the different kinds of thermoelectric materials. Here, comprehensive coverage of recent advances in metal chalcogenides and their correlated thermoelectric enhancement mechanisms are provided. Several new strategies are summarized with the hope that they can inspire further enhancement of performance, both in metal chalcogenides and in other materials. Disciplines Engineering | Physical Sciences and Mathematics Publication DetailsHan, C., Sun, Q., Li, Z. & Dou, S. X. (2016) Several new strategies are summarized with the hope that they can inspire further enhancement of performance, both in metal chalcogenides and in other materials.2

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“…The need for thermoelectric devices with higher efficiencies has led to increased research efforts in the search for new thermoelectric materials. Recent advances in promising bulk thermoelectric materials have been reviewed [3].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

Luu

Vaqueiro

2015

Journal of Solid State Chemistry

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a b s t r a c tBi 2 O 2 Te was synthesised from a stoichiometric mixture of Bi, Bi 2 O 3 and Te by a solid state reaction. Analysis of powder X-ray diffraction data indicates that this material crystallises in the anti-ThCr 2 Si 2 structure type (space group I4/mmm), with lattice parameters a¼ 3.98025(4) and c¼ 12.70391(16) Å. The electrical and thermal transport properties of Bi 2 O 2 Te were investigated as a function of temperature over the temperature range 300 rT (K)r 665. These measurements indicate that Bi 2 O 2 Te is an n-type semiconductor, with a band gap of 0.23 eV. The thermal conductivity of Bi 2 O 2 Te is remarkably low for a crystalline material, with a value of only 0.91 W m À 1 K À 1 at room temperature.

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New promising bulk thermoelectrics: intermetallics, pnictides and chalcogenides

Cited by 75 publications

References 400 publications

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

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