scholarly journals Prediction of high thermoelectric performance in the low-dimensional metal halide Cs3Cu2I5

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Young-Kwang Jung ◽  
In Taek Han ◽  
Yong Churl Kim ◽  
Aron Walsh
Keyword(s):  
Figure Of Merit ◽  
Transport Theory ◽  
Phonon Scattering ◽  
High Electron ◽  
Acoustic Vibrations ◽  
Thermoelectric Figure ◽  
Cold Source ◽  
Low Dimensional ◽  
New Generation ◽  
Type Crystal

AbstractMetal halides have emerged as a new generation of semiconductors with applications ranging from solar cells to chemical sensors. We assess the thermoelectric potential of Cs3Cu2I5, which has a crystal structure formed of zero-dimensional [Cu2I5]3− anionic clusters that are separated by Cs+ counter cations. We find the compound exhibits the characteristics of a phonon-glass electron-crystal with a large imbalance in the conduction of heat and electrons predicted from first-principles transport theory. Strong anharmonic phonon–phonon scattering results in short-lived acoustic vibrations and an ultra-low lattice thermal conductivity (<0.1 W m−1 K−1). The dispersive conduction band leads to a high electron mobility (>10 cm2 V−1 s−1). For an n-type crystal at 600 K, a thermoelectric figure-of-merit ZT of 2.6 is found to be accessible, which for a cold source of 300 K corresponds to a thermodynamic heat-to-electricity conversion efficiency of 15%.

Influence of multi-sintering on the thermoelectric properties of Bi2Sr2Co2Oy ceramics

2019 ◽  
Vol 34 (02) ◽  
pp. 2050019 ◽  
Author(s):  
Y. Zhang ◽  
M. M. Fan ◽  
C. C. Ruan ◽  
Y. W. Zhang ◽  
X.-J. Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Sintered Sample ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
The Third ◽  
Ceramic Samples ◽  
Optimum Formula

[Formula: see text] ceramic samples have a structure similar to phonon glass electronic crystals, and their thermoelectric properties can be effectively adjusted through repeated grinding and sintering. The results show that multi-sintering can make their grain refined and increase their grain boundary, which will effectively increase density and phonon scattering. Finally, multi-sintering can reduce the resistivity and thermal conductivity, thus obviously improve thermoelectric figure of merit [Formula: see text] of [Formula: see text]. The optimum [Formula: see text] value of 0.26 is achieved at 923 K by the third sintered sample.

Epitaxial Growth and Thermoelectric Properties of Bi2Te3 Based Low Dimensional Structures

2000 ◽  
Vol 626 ◽  
Author(s):  
Joachim Nurnus ◽  
Harald Beyer ◽  
Armin Lambrecht ◽  
Harald Böttner
Keyword(s):  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Lattice Mismatch ◽  
Structural Performance ◽  
Lead Chalcogenide ◽  
Thermoelectric Figure ◽  
Barrier Materials ◽  
Superlattice Structures ◽  
Low Dimensional ◽  
Secondary Ion

ABSTRACTBi2Te3 based low dimensional structures are interesting material systems to increase the thermoelectric figure of merit ZT by either the expected reduction of the thermal conductivity or by a possible power factor enhancement due to quantum confinement. Due to low lattice mismatch Bi2(Te1-xSex)3, PbSe1-xTex, as well as Pb1-xSrxTe, and BaF2 are suitable for Bi2Te3 based low dimensional structures. Especially due to their significantly enhanced band gap lead chalcogenide compounds like Pb1-xSrxTe (Pb0.87Sr0.13Te: 0.6 eV) are well-suited barrier materials in MQW structures. Alternatively the insulator BaF2 can be used for that purpose.Here we report mainly on results of different superlattice structures mentioned above grown by molecular beam epitaxy (MBE) on BaF2(111). The structural properties of these layers were investigated by X-ray diffractometry (XRD), scanning electron microscopy (SEM) and secondary ion mass spectroscopy (SIMS). Structural performance and thermoelectric properties of different Bi2Te3 based superlattices were reported and compared with regard to their superlattice parameters.

Enhanced thermoelectric figure of merit in SiGe alloy nanowires by boundary and hole-phonon scattering

2011 ◽  
Vol 110 (7) ◽  
pp. 074317 ◽  
Author(s):  
Julio A. Martinez ◽  
Paula P. Provencio ◽  
S. T. Picraux ◽  
John P. Sullivan ◽  
B. S. Swartzentruber
Keyword(s):  
Figure Of Merit ◽  
Phonon Scattering ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Sige Alloy ◽  
Alloy Nanowires

Vacancy Phonon Scattering and Thermoelectric Properties in In2Te3–SnTe Compounds

2010 ◽  
Vol 650 ◽  
pp. 126-131 ◽  
Author(s):  
Hong Fu ◽  
Peng Zhan Ying ◽  
J.L. Cui ◽  
Y.M. Yan ◽  
X.J. Zhang
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Point Defects ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Chemical Compositions ◽  
Thermoelectric Figure ◽  
Solid Solution Formation ◽  
Solution Formation

Solid solution formation is a common and effective way to reduce the lattice thermal conductivity for thermoelectric materials because of additional phonon scattering by point defects and grain boundaries. In the present work we prepared In2Te3–SnTe compounds using a mild solidification technique and evaluated their thermoelectric properties in the temperature range from 318705 K. Measurements reveal that the transport properties are strongly dependent on the chemical composition  In2Te3 content, and lattice thermal conductivity significantly reduces above a minimum In2Te3 concentration, which can possibly be explained by an introduction of the vacancy on the indium sublattice and periodical vacancy planes. The highest thermoelectric figure of merit ZT of 0.19 can be achieved at 705 K, and a big improvement of In2Te3 based alloys would be expected if a proper optimization to the chemical compositions and structures were made.

Electronic Structure and Thermoelectric Properties of Ytterbium-Filled Skutterudites

2001 ◽  
Vol 691 ◽  
Author(s):  
Hiroaki Anno ◽  
Kazuhiro Ashida ◽  
Kakuei Matsubara ◽  
George S. Nolas ◽  
Koji Akai ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
Photoelectron Spectroscopy ◽  
Figure Of Merit ◽  
High Electron ◽  
Thermoelectric Figure ◽  
Electron Model ◽  
X Ray ◽  
Strong Hybridization ◽  
Filled Skutterudites

ABSTRACTThe electronic structure and thermoelectric properties of Yb partially filled CoSb3 skutterudite compounds have been investigated by x-ray photoelectron spectroscopy and band calculation in terms of an itinerant f electron model. In these materials, the significant effect of Yb filling is the large reduction of lattice thermal conductivity, remaining relatively high electron mobility and Seebeck coefficient, resulting in high thermoelectric figure of merit. We discuss the effects of the valence fluctuation between Yb2+ and Yb3+ and the strong hybridization of Yb 4f states with the valence band states on the electronic properties and their relation to thermoelectric properties for Yb partially filled CoSb3 compounds.

scholarly journals Prediction of higher thermoelectric performance in BiOCuSe by weakening electron-polar optical phonon scattering

2020 ◽  
Author(s):  
Tianqi Zhao ◽  
Quinn Gibson ◽  
Luke Daniels ◽  
Ben Slater ◽  
Furio Cora
Keyword(s):  
Carrier Mobility ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Phonon Scattering ◽  
Hole Mobility ◽  
Polar Optical Phonon ◽  
First Principles Calculations ◽  
Thermoelectric Figure ◽  
Optical Phonon Scattering ◽  
Electron Phonon Scattering

Abstract BiOCuSe is a promising thermoelectric material, but its applications are hindered by low carrier mobility. We use first principles calculations to analyse electron-phonon scattering mechanisms and evaluate their contributions to the thermoelectric figure of merit ZT. The combined scattering of carriers by polar optical (PO) and longitudinal acoustic (LA) phonons yields an intrinsic hole mobility of 32 cm2 V-1 s-1 at room temperature and a temperature power law of T-1.5, which agree well with experiments. We demonstrate that electron phonon scattering in the Cu-Se layer dominates at low T, while contributions from the Bi-O layer become increasingly significant at higher T. At room temperature, ZT is calculated to be 0.48 and can be improved by 30% through weakening PO phonon scattering in the Cu-Se layer. This finding agrees with the experimental observation that weakening the carrier-phonon interaction by Te substitution in the Cu-Se layer improves mobility and ZT. At high T, the figure of merit is improved by weakening phonon scattering in the Bi-O layer instead. The theoretical ZT limit of BiOCuSe is calculated to be 2.5 at 875 K.

scholarly journals Influence of Pd Doping on Electrical and Thermal Properties of n-Type Cu0.008Bi2Te2.7Se0.3 Alloys

Materials ◽  
2019 ◽  
Vol 12 (24) ◽  
pp. 4080 ◽  
Author(s):  
Se Yun Kim ◽  
Hyun-Sik Kim ◽  
Kyu Hyoung Lee ◽  
Hyun-jun Cho ◽  
Sung-sil Choo ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Carrier Concentration ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Energy Conversion Efficiency ◽  
Thermoelectric Figure ◽  
Pd Doping ◽  
Effect Of Pd

Doping is known as an effective way to modify both electrical and thermal transport properties of thermoelectric alloys to enhance their energy conversion efficiency. In this project, we report the effect of Pd doping on the electrical and thermal properties of n-type Cu0.008Bi2Te2.7Se0.3 alloys. Pd doping was found to increase the electrical conductivity along with the electron carrier concentration. As a result, the effective mass and power factors also increased upon the Pd doping. While the bipolar thermal conductivity was reduced with the Pd doping due to the increased carrier concentration, the contribution of Pd to point defect phonon scattering on the lattice thermal conductivity was found to be very small. Consequently, Pd doping resulted in an enhanced thermoelectric figure of merit, zT, at a high temperature, due to the enhanced power factor and the reduced bipolar thermal conductivity.

Thermoelectric Transport in Superlattices

1997 ◽  
Vol 478 ◽  
Author(s):  
T. L. Reinecke ◽  
D. A. Broido
Keyword(s):  
Exact Solution ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Thermoelectric Transport ◽  
Barrier Layers ◽  
Thermoelectric Transport Properties ◽  
Carrier Tunneling

AbstractThe thermoelectric transport properties of superlattices have been studied using an exact solution of the Boltzmann equation. The role of heat transport along the barrier layers, of carrier tunneling through the barriers, of valley degeneracy and of the well width and energy dependences of the carrier-phonon scattering rates on the thermoelectric figure of merit are given. Calculations are given for Bi2Te3 and for PbTe, and the results of recent experiments are discussed.

Enhancement of Thermoelectric Figure-of-Merit by a Nanostructure Approach

2009 ◽  
Vol 1166 ◽  
Author(s):  
Zhifeng Ren ◽  
Bed Poudel ◽  
Yi Ma ◽  
Yucheng Lan ◽  
Austin Minnich ◽  
...  
Keyword(s):  
Electrical Transport ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Extended Period ◽  
Thermoelectric Figure Of Merit ◽  
Stability Studies ◽  
Bulk Materials ◽  
Thermoelectric Figure ◽  
Material Systems ◽  
Power Generation Systems

AbstractThe dimensionless thermoelectric figure-of-merit (ZT) in bulk materials has remained about 1 for many years. Here we show that a significant ZT improvement can be achieved in nanocrystalline bulk materials. These nanocrystalline bulk materials were made by hot-pressing nanopowders that are ball-milled from either crystalline ingots or elements. 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. More importantly, the nanostructure approach has been demonstrated in a few thermoelectric material systems, proving its generosity. The approach can be easily scaled up to multiple tons. Thermal stability studies have shown that the nanostructures are stable at the application temperature for an extended period of time. It is expected that such enhanced materials will make the existing cooling and power generation systems more efficient.

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