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High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites

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TLDR
In this article, the authors report dimensionless thermoelectric properties of tetrahedrites, the most widespread sulfosalts on Earth, and further show that the natural mineral itself can be used directly as an inexpensive source of energy.
Abstract
Thermoelectric materials can convert waste heat into electricity, potentially improving the effi ciency of energy usage in both industry and everyday life. Unfortunately, known good thermoelectric materials often are comprised of elements that are in low abundance and require careful doping and complex synthesis procedures. Here, we report dimensionless thermoelectric fi gure of merit near unity in compounds of the form Cu 12 − x M x Sb 4 S 13 , where M is a transition metal such as Zn or Fe, for wide ranges of x . The compounds investigated here span the range of compositions of the natural mineral family of tetrahedrites, the most widespread sulfosalts on Earth, and we further show that the natural mineral itself can be used directly as an inexpensive source thermoelectric material. Thermoelectrics comprised of earth-abundant elements will pave the way to many new, low cost thermoelectric energy generation opportunities.

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Journal ArticleDOI

Structural and electronic evolution in the Cu3SbS4–Cu3SnS4 solid solution

TL;DR: In this paper, a full solid solution is found between famatinite (Cu3SbS4) and kuramite (cu3SnS4), with low x-value compositions in the Cu 3Sb1−xSnxS4 system exhibiting the ordered famatite structure and compositions above x = 0.7 showing progressive disorder on the cation sublattice.
Journal ArticleDOI

Effect of indium substitution on the thermoelectric properties of orthorhombic Cu4SnS4

TL;DR: In this article, the thermoelectric properties of Cu4InxSn1−xS4 (x = 0-0.02), which undergoes a first-order structural phase transition at ~230 K, were investigated.
Journal ArticleDOI

Solid-State Synthesis and Thermoelectric Properties of Tetrahedrites Cu12Sb4-yBiyS13

TL;DR: In this article, the synthesis of tetrahedrite compounds by conventional melting methods requires a long-time reaction and annealing; however, a homogeneous and solid state synthesis can be conducted in a short time using mechanical alloying (MA) because the volatilization of the constituent elements is inhibited and a subsequent heat treatment is not necessary.
Posted Content

Optimal Band Structure for Thermoelectrics with Realistic Scattering and Bands.

TL;DR: In this article, the authors apply more rigorous scattering treatments to more realistic model band structures - upward-parabolic bands that inflect to an inverted parabolic behavior - including cases of multiple bands.
Journal ArticleDOI

Mechanochemistry for Thermoelectrics: Nanobulk Cu 6 Fe 2 SnS 8 /Cu 2 FeSnS 4 Composite Synthesized in an Industrial Mill

TL;DR: In this article, the authors demonstrate the use of elemental precursors, such as Cu, Fe, Sn, and S, to obtain a mawsonite composite using a solid-state process at ambient temperature in an industrial eccentric vibration mill for up to 240min in argon atmosphere.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI

From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI

Ab initio molecular dynamics for liquid metals.

TL;DR: In this paper, the authors present an ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local density approximation.
Journal ArticleDOI

Thin-film thermoelectric devices with high room-temperature figures of merit

TL;DR: Th thin-film thermoelectric materials are reported that demonstrate a significant enhancement in ZT at 300 K, compared to state-of-the-art bulk Bi2Te3 alloys, and the combination of performance, power density and speed achieved in these materials will lead to diverse technological applications.
Journal ArticleDOI

High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys

TL;DR: Electrical transport measurements, coupled with microstructure studies and modeling, show that the ZT improvement is the result of low thermal conductivity caused by the increased phonon scattering by grain boundaries and defects, which makes these materials useful for cooling and power generation.
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