scholarly journals Approximate models for the lattice thermal conductivity of alloy thermoelectrics

2021 ◽  
Author(s):  
Jonathan Skelton
Keyword(s):  
Thermal Conductivity ◽  
Energy Efficiency ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Seebeck Effect ◽  
Thermoelectric Generators ◽  
Approximate Models

Thermoelectric generators (TEGs) convert waste heat to electricity and are a leading contender for improving energy efficiency at a range of scales. Ideal TE materials show a large Seebeck effect,...

Anderson Localization of Phonons in Random Multilayer Thin Films

2012 ◽  
Vol 1404 ◽  
Author(s):  
Anthony Frachioni ◽  
Bruce White
Keyword(s):  
Thin Films ◽  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Anderson Localization ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Mean Free Path ◽  
The United States ◽  
Energy Scavenging ◽  
Multilayer Thin Films

ABSTRACT1020 Joules of energy are generated by the United States each year; 60% of this energy is lost to waste heat [1]. Thermoelectric based energy scavenging has tremendous potential for the recovery of significant quantities of this waste heat. However, utilization of thermoelectric devices is limited due to relatively low energy conversion efficiency and the utilization of relatively scarce materials. This work focuses on generating sustainable and efficient thermoelectric materials through modifications to the lattice vibrations of materials with excellent thermoelectric electronic properties (Seebeck coefficients larger than 500 μV/K). In particular, Anderson localization of phonons in random multilayer thin films has been explored as a means for reducing lattice thermal conductivity to values approaching that of aerogels (∼10 mW/m-K). Silicon has been a sample of choice due to its high crust abundance and Seebeck coefficient. Reverse non-equilibrium molecular dynamics simulations have been utilized to determine the thermal conductivity of structures of interest. Simulations with pure Lennard-Jones argon solids have been performed to establish a methodology and to characterize the effect of different kinds of disorder prior to the examination of silicon. The simulation results indicate that mass disorder confined to randomly selected planes to be an effective way in which to reduce lattice thermal conductivity with the lattice thermal conductivity decreasing by a factor of thirty (to 4 mW/m-K) in the argon case and a factor of over ten thousand (to 15 mW/m-K) for silicon. Based on models in which the charge carrier mean free path is limited by scattering from the planes with mass disorder, the mobility of silicon is expected to reach values of 10 cm2/V-s. At this mobility the thermoelectric figure of merit, ZT, (utilizing the Wiedeman-Franz law to calculate the electronic thermal conductivity) varies between 4.5 and 11 as the mass ratio of the disordered planes is varied from 4 to 10 in 20% of the lattice planes. These results indicate that the pursuit of nanostructured thermoelectric materials in the form of random multilayers may provide a path to efficient and sustainable thermoelectric materials.

Enhancement of high temperature thermoelectric performance of cobaltite based materials for automotive exhaust thermoelectric generators

2021 ◽  
Author(s):  
FATMA BAYATA
Keyword(s):  
Thermal Conductivity ◽  
High Temperature ◽  
Heat Recovery ◽  
Waste Heat ◽  
Sol Gel ◽  
Thermoelectric Performance ◽  
Thermoelectric Generators ◽  
Potential Candidate ◽  
Automotive Exhaust ◽  
Co Doped

Abstract Thermoelectric (TE) generators can directly convert exhaust waste heat into electricity in vehicles. However, the low conversion efficiency of TE generators is the main obstacle to their commercialization in automotive. Their efficiency mainly depends on the performance of the used materials which is quantified by the figure of merit (ZT value). In the present study, single- and co-doped calcium cobaltites(CCO) with rare-earth (Tb) and transition metals (Cu, Fe, Ni, Mn, Cr) were produced using sol-gel technique in order to improve their high temperature thermoelectric properties for heat recovery in exhaust manifold applications. By the combined effect of doping approach and the production technique used in this study, a remarkable decrease in the grain size of CCO was obtained, and thus its thermal conductivity dramatically decreased. Besides, thermopower values were improved significantly. The reduction in thermal conductivity and the increase in thermopower led to an enhancement in ZT value of CCO ceramics. Among all the co-doped samples, Tb-Cu co-doped CCO displayed the maximum ZT value of 0.116 at 873 K which is 2.5 times larger than that of pure CCO. The high thermal stability and the enhanced thermoelectric performance make Tb-Cu co-doped CCO material a potential candidate for heat recovery in automotive exhaust thermoelectric generators.

scholarly journals Approximate Models for the Lattice Thermal Conductivity of Alloy Thermoelectrics

2021 ◽  
Author(s):  
Jonathan Skelton
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Alloy System ◽  
Alloy Formation ◽  
Relaxation Time Approximation ◽  
Constant Relaxation Time ◽  
Underlying Mechanisms ◽  
The Impact ◽  
Work First

Thermoelectric generators (TEGs) convert waste heat to electricity and are a leading contender for improving energy efficiency at a range of scales. Ideal TE materials show a large Seebeck effect, high electrical conductivity, and low thermal conductivity. Alloying is a widely-used approach to engineering the heat transport in TEs, but despite many successes the underlying mechanisms are poorly understood. In previous work, first-principles modelling has successfully been used to study the thermodynamics of alloy formation and to investigate its effect on the electronic structure and phonon spectrum. However, it has so far only been possible to examine qualitatively the impact of alloying on the lattice thermal conductivity. In this work, we develop and test two new approaches to addressing this. The constant relaxation-time approximation (CRTA) assumes the primary effect of alloying is on the phonon group velocities, and allows the thermal conductivity to be calculated assuming a suitable constant lifetime. Alternatively, setting the three-phonon interaction strengths to a constant further enables an assessment of how changes to the phonon frequency spectrum influence the lifetimes. We test both approaches for the <i>Pnma</i> Sn(S<sub>1-<i>x</i></sub>Se<sub><i>x</i></sub>) alloy system and are able to account for the substantially-reduced thermal conductivity measured in experiments.

scholarly journals Improvement of Thermoelectric Properties through Reduction of Thermal Conductivity by Nanoparticle Addition and Stoichiometric Change to Mg2Si

MRS Advances ◽  
2017 ◽  
Vol 2 (58-59) ◽  
pp. 3637-3643
Author(s):  
William T. Yorgason ◽  
Arden N. Barnes ◽  
Nick Roberts
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Waste Heat ◽  
Mean Free Path ◽  
Phonon Transport ◽  
Thermoelectric Efficiency ◽  
Minimal Impact ◽  
Si Nanoparticle ◽  
Si Nanoparticles

ABSTRACT Thermoelectric materials have been of interest for several decades due to their ability to recapture waste heat of various systems and convert it to useful electricity. One method used to improve the thermoelectric efficiency of a material is to reduce the lattice thermal conductivity (k p ) while not affecting the other properties. In order to reduce the k p of the material, this paper introduces silicon (Si) nanoparticles (NPs) in Mg2Si to manipulate phonon scattering and mean free path. A series of simulations is performed with the metal silicide thermoelectric material MgxSix. The objective of this work is two-fold: 1) to determine the optimal Si nanoparticle (NP) concentration and 2) to determine the optimal MgxSix stoichiometry for minimizing the k p of the system. It should be noted, however, that the assumed reduction in thermal conductivity is only a result of reduced phonon transport and that minimal impact is made on the transport of electrons. Interestingly, the uniform off-stoichiometry (49.55 atomic percent (a/o) Si) sample of MgxSix resulted in a reduction of k p of 84.62 %, while the Si NP sample, with matching a/o Si, resulted in a reduction of k p of 78.82 %.

scholarly journals Biaxial Tensile Strain-Induced Enhancement of Thermoelectric Efficiency of α-Phase Se2Te and SeTe2 Monolayers

Nanomaterials ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 40
Author(s):  
Shao-Bo Chen ◽  
Gang Liu ◽  
Wan-Jun Yan ◽  
Cui-E Hu ◽  
Xiang-Rong Chen ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Density Functional ◽  
Tensile Strain ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Electronic Conductivity ◽  
Thermoelectric Efficiency ◽  
Α Phase ◽  
Biaxial Tensile ◽  
Biaxial Tensile Strain

Thermoelectric (TE) materials can convert waste heat into electrical energy, which has attracted great interest in recent years. In this paper, the effect of biaxial-tensile strain on the electronic properties, lattice thermal conductivity, and thermoelectric performance of α-phase Se2Te and SeTe2 monolayers are calculated based on density-functional theory and the semiclassical Boltzmann theory. The calculated results show that the tensile strain reduces the bandgap because the bond length between atoms enlarges. Moreover, the tensile strain strengthens the scatting rate while it weakens the group velocity and softens the phonon model, leading to lower lattice thermal conductivity kl. Simultaneously, combined with the weakened kl, the tensile strain can also effectively modulate the electronic transport coefficients, such as the electronic conductivity, Seebeck coefficient, and electronic thermal conductivity, to greatly enhance the ZT value. In particular, the maximum n-type doping ZT under 1% and 3% strain increases up to six and five times higher than the corresponding ZT without strain for the Se2Te and SeTe2 monolayers, respectively. Our calculations indicated that the tensile strain can effectively enhance the thermoelectric efficiency of Se2Te and SeTe2 monolayers and they have great potential as TE materials.

Influence of Addition of Alumina Nanoparticles on Thermoelectric Properties of Higher Manganese Silicide

2012 ◽  
Vol 1490 ◽  
pp. 127-132 ◽  
Author(s):  
Takashi Itoh ◽  
Naoki Ono
Keyword(s):  
Thermal Conductivity ◽  
Grain Boundary ◽  
Thermoelectric Properties ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Low Cost ◽  
Thermoelectric Performance ◽  
Alumina Nanoparticles ◽  
Higher Manganese Silicide ◽  
Manganese Silicide

ABSTRACTHigher manganese silicide (HMS) is a low-cost and eco-friendly thermoelectric material available for recovering waste heat of 500 to 900 K. In this research, we tried to uniformly disperse the alumina nanoparticles (ANPs) in the HMS matrix to reduce the thermal conductivity and to improve the thermoelectric performance. Influence of addition of ANPs on the thermoelectric properties was investigated. It was confirmed that ANPs were uniformly dispersed in the HMS grain boundary. The lattice thermal conductivity was reduced by adding ANPs. As a result, the maximum thermoelectric performance of ZT=0.58 was achieved at about 800 K by adding 1 vol% of ANPs. The performance of ANPs-added HMS was improved about 25 %.

Synthesis and Thermolelectric Properties of Bi2Te3-GeTe Pseudo Binary System

2006 ◽  
Vol 46 ◽  
pp. 168-173
Author(s):  
Hitoshi Kohri ◽  
Ichiro Shiota ◽  
Masahiko Kato ◽  
Isao J. Ohsugi ◽  
Takashi Goto
Keyword(s):  
Thermal Conductivity ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Waste Heat ◽  
Electrical Energy ◽  
Synergy Effect ◽  
Temperature Range ◽  
Binary Compounds ◽  
Energy From Waste

Bi2Te3 is the best compound for thermoelectric materials around the room temperature. If the temperature range is shifted to higher side, it is useful to obtain electrical energy from waste heat source which is abundant at the temperature around 500 K. In this experiment, Bi2Te3-GeTe pseudo binary compounds were investigated to shift the temperature range. The lattice thermal conductivity was remarkably decreased at 50 or 75 mol%GeTe by synergy effect of solid solution and grain boundaries. The peak temperature of figure of merit Z for Bi2Te3-GeTe pseudo binary compounds was higher than Bi2Te3.

Lattice Thermal Conductivity Modelling of a Diatomic Nanoscale Material

2020 ◽  
Vol 10 (5) ◽  
pp. 602-609
Author(s):  
Adil H. Awad
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Correction Term ◽  
Nanoscale Material ◽  
New Approach ◽  
Two Samples ◽  
Conductivity Modelling ◽  
Callaway Model

Introduction: A new approach for expressing the lattice thermal conductivity of diatomic nanoscale materials is developed. Methods: The lattice thermal conductivity of two samples of GaAs nanobeam at 4-100K is calculated on the basis of monatomic dispersion relation. Phonons are scattered by nanobeam boundaries, point defects and other phonons via normal and Umklapp processes. Methods: A comparative study of the results of the present analysis and those obtained using Callaway formula is performed. We clearly demonstrate the importance of the utilised scattering mechanisms in lattice thermal conductivity by addressing the separate role of the phonon scattering relaxation rate. The formulas derived from the correction term are also presented, and their difference from Callaway model is evident. Furthermore their percentage contribution is sufficiently small to be neglected in calculating lattice thermal conductivity. Conclusion: Our model is successfully used to correlate the predicted lattice thermal conductivity with that of the experimental observation.

scholarly journals Local ferroelectric polarization switching driven by nanoscale distortions in thermoelectric $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Aastha Vasdev ◽  
Moinak Dutta ◽  
Shivam Mishra ◽  
Veerpal Kaur ◽  
Harleen Kaur ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Direct Evidence ◽  
Temperature Dependent ◽  
Force Microscopy ◽  
Ferroelectric Domains ◽  
Pdf Analysis ◽  
Ferroelectric Transition Temperature

AbstractA remarkable decrease in the lattice thermal conductivity and enhancement of thermoelectric figure of merit were recently observed in rock-salt cubic SnTe, when doped with germanium (Ge). Primarily, based on theoretical analysis, the decrease in lattice thermal conductivity was attributed to local ferroelectric fluctuations induced softening of the optical phonons which may strongly scatter the heat carrying acoustic phonons. Although the previous structural analysis indicated that the local ferroelectric transition temperature would be near room temperature in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te , a direct evidence of local ferroelectricity remained elusive. Here we report a direct evidence of local nanoscale ferroelectric domains and their switching in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te using piezoeresponse force microscopy(PFM) and switching spectroscopy over a range of temperatures near the room temperature. From temperature dependent (250–300 K) synchrotron X-ray pair distribution function (PDF) analysis, we show the presence of local off-centering distortion of Ge along the rhombohedral direction in global cubic $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te . The length scale of the $${\text {Ge}}^{2+}$$ Ge 2 + off-centering is 0.25–0.10 Å near the room temperatures (250–300 K). This local emphatic behaviour of cation is the cause for the observed local ferroelectric instability, thereby low lattice thermal conductivity in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te .

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