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The Thermoelectric Properties of Bismuth Telluride

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TLDR
In this paper, the authors identify and quantify the key material properties that make Bi2Te3 such a good thermoelectric material, which can be used for benchmarking future improvements in Bi2TE3 or new replacement materials.
Abstract
DOI: 10.1002/aelm.201800904 made for efficient thermoelectric cooling or temperature management uses Bi2Te3 alloys. Such solid-state devices dominate the market for temperature control in optoelectronics. As the need to eliminate greenhouse-gas refrigerants increases, Peltier cooling is becoming more attractive particularly in small systems where efficiencies are comparable to traditional refrigerant based cooling. Such small devices may enable distributive heating/ cooling (only where and when it is needed) with higher system level energy efficiency, for example in electric vehicles where energy for heating/cooling competes with vehicle range. Even for thermoelectric power generation, e.g., recovery of waste heat, Bi2Te3 alloys are most used because of superior efficiency up to 200 °C and the technology to make devices with Bi2Te3 is most advanced.[1–3] While the material and production technology for making Bi2Te3-based devices has remained essentially unchanged since the 1960s, our understanding of these materials has advanced considerably. Most recently, the interest in topological insulators (TI) has led to new insights into the complex electronic structure[4,5] revealing that with the accuracy in assessing the band structures available today, improvements in the electronic structure by band engineering should not only be possible but predictable.[6–9] Indeed, the p-type alloys chosen for use in commercial Peltier coolers appear to have unintentionally arrived at a composition close to a band convergence. The understanding of defects and doping is also advancing rapidly that will lead to new strategies for additional improvements in the electronic properties. The thermal conductivity of Bi2Te3-based alloys can also be engineered, where in particular there is much recent interest in microstructure engineering or nanostructuring.[10–22] Reduced thermal conductivity has led to numerous reports of exceptionally high efficiency (zT) that would be sufficient to revolutionize the industry. However, between measurement and material uncertainties, a revolutionary new Bi2Te3-based material has not made it to the market. Because even small but reliable improvements could make significant impact, it is worthwhile to better understand all the complex, interdependent effects of band engineering and microstructure engineering. To demonstrate and quantify improvements in thermoelectric properties, it is necessary to have well characterized properties or reliable benchmarks for comparison. Bismuth telluride is the working material for most Peltier cooling devices and thermoelectric generators. This is because Bi2Te3 (or more precisely its alloys with Sb2Te3 for p-type and Bi2Se3 for n-type material) has the highest thermoelectric figure of merit, zT, of any material around room temperature. Since thermoelectric technology will be greatly enhanced by improving Bi2Te3 or finding a superior material, this review aims to identify and quantify the key material properties that make Bi2Te3 such a good thermoelectric. The large zT can be traced to the high band degeneracy, low effective mass, high carrier mobility, and relatively low lattice thermal conductivity, which all contribute to its remarkably high thermoelectric quality factor. Using literature data augmented with newer results, these material parameters are quantified, giving clear insight into the tailoring of the electronic band structure of Bi2Te3 by alloying, or reducing thermal conductivity by nanostructuring. For example, this analysis clearly shows that the minority carrier excitation across the small bandgap significantly limits the thermoelectric performance of Bi2Te3, even at room temperature, showing that larger bandgap alloys are needed for higher temperature operation. Such effective material parameters can also be used for benchmarking future improvements in Bi2Te3 or new replacement materials.

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Citations
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Journal ArticleDOI

Halide Perovskites: Thermal Transport and Prospects for Thermoelectricity

TL;DR: Recent advances in thermal transport of halide perovskites and their potentials and challenges for thermoelectrics are reviewed and strategies to overcome the limiting factors in halideperovskite thermoelectedrics and their prospects are emphasized.
Journal ArticleDOI

Texture-dependent thermoelectric properties of nano-structured Bi2Te3

TL;DR: In this article, the texture-dependent thermoelectric properties of Bi2Te3 pellets were optimized by the proper texture design to simultaneously secure a high carrier mobility and strong phonon scattering, resulting in a peak ZT value of 0.69 at 333 K.
Journal ArticleDOI

Topological Quantum Materials from the Viewpoint of Chemistry.

TL;DR: This review presents the topological concepts related to solids from the viewpoint of a solid-state chemist, summarizes techniques for growing single crystals, and describes basic physical property measurement techniques to characterize topological materials beyond their structure and provide examples of such materials.
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

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Journal ArticleDOI

Projector augmented-wave method

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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.
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