Challenges and perspective recent trends of enhancing the efficiency of thermoelectric materials on the basis of PbTe

Shtern, Yury; Sherchenkov, Alexey; Shtern, Maxim; Rogachev, Maxim; Pepelyaev, Dmitry

doi:10.1016/j.mtcomm.2023.107083

Cited by 10 publications

(3 citation statements)

References 179 publications

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“…The optimized lattice constants for cubic CsPbI 3 and PbX(X = S, Se, Te) are 6.28 Å, 5.99 Å, 6.13 Å, and 6.54 Å, respectively. This is basically consistent with the reference values (6.28 Å, 5.98 Å, 6.18 Å, and 6.54 Å) [43][44][45][46], indicating that our calculation results are reliable. Consequently, at the PbX(X = S, Se, Te) /CsPbI 3 interface, the lattice mismatch is approximately 4.6%, 2.4%, and 3.8%, respectively, as shown in table 1.…”

Section: Geometric Structure and Stabilitysupporting

confidence: 92%

First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors

Lin,

Sun,

Liu

et al. 2024

Phys. Scr.

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The heterostructure composed of lead chalcogenides (PbX, X=S, Se, Te) and halide perovskite CsPbI3 has recently emerged as a promising candidate for optoelectronic devices. This study uses theoretical investigations using first-principles calculations with the VASP software to understand the structural, electronic, and optical properties of the PbX(X=S, Se, Te)/CsPbI3 heterostructure. Appropriate lattice mismatch rates(4.6%, 2.4%, 3.8%) and similar octahedral frameworks are confirmed, ensuring the feasibility of constructing the PbX/CsPbI3 heterostructure. Electronic property calculations unveiled the physical mechanisms enhancing luminescence efficiency. The I-type band alignment at the PbX/CsPbI3 interface(-5.27eV<PbX<-3.73eV, -5.34eV<CsPbI3<-3.57eV) contributes to the reduction of electron and hole recombination losses, thereby enhancing energy transfer efficiency. This favorable arrangement facilitates the transfer of electrons and holes from the CsPbI3 layer to the PbX material, a conclusion supported by the difference in charge density. PbSe/CsPbI3 exhibited superior charge transfer capabilities among the three heterostructures, with electron clouds more pronounced than the others. The heterostructure extended the light absorption range of CsPbI3 from visible to near-infrared due to the influence of PbX. By comparing the absorption spectra's magnitude, this study finds that PbTe/CsPbI3>PbSe/CsPbI3>PbS/CsPbI3. PbSe/CsPbI3 performs best in terms of stability, charge density transfer, and optical properties. Furthermore, under the premise of ensuring stability, different optical absorption characteristics can be achieved by adjusting the composition of Se atoms in PbSe/CsPbI3. This work provides a theoretical basis for the physical mechanisms behind enhancing the performance of PbX/CsPbI3 heterostructures as visible-to-near-infrared optoelectronic materials. It offers a promising avenue for the design of high-performance visible-to-near-infrared optoelectronic materials.

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Section: Geometric Structure and Stabilitysupporting

confidence: 92%

First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors

Lin,

Sun,

Liu

et al. 2024

Phys. Scr.

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“…High-temperature materials are primarily used for waste-heat recovery [3,4]. Medium-high-temperature type: These have an optimal application temperature range of 450-850 to K; lead telluride (PbTe) and its related alloys belong to this category [5]. Medium-high-temperature materials are primarily used for waste-heat recovery.…”

Section: Introductionmentioning

confidence: 99%

Improvement of mid-temperature ZT in a Bi-Se-Te via a two two-step sintering process

Yen,

Lin,

Shi

et al. 2024

Mater. Res. Express

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There exists a vast choice when considering the selection of thermoelectric materials. The standard classification is based on the temperature range of the application. This study fabricated mid‐temperature Bi-Se-Te using spark plasma sintering (SPS). Consequently, the impact of the sintering conditions on the thermoelectric properties was analyzed. The structural analysis indicated that initial and secondary sintering processes effectively produced the low-temperature thermoelectric material Bi2Se0.45Te2.55. The sintering duration and temperature changes mainly influenced the grain boundary density, with elevated temperatures inducing defects that impacted the performance. Secondary sintering resulted in layered structures with elongated grains, which enhanced the phonon scattering effect. This configuration markedly decreased the thermal conductivity, increasing the ZT value by 60%.

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“…One is the materials science that provides new materials for thermoelectric couples exhibiting far higher figures of merit ZT in the room temperature range than the traditional Bi 2 Te 3 [23][24][25][26]. Historically, in the 1960s, the best industrially produced thermoelectric materials were based on solid solutions of Bi 2 Te 3 , Sb 2 Te 3 , PbTe, GeTe, and SiGe [27]. They are still widely used, but nowadays, new materials ranging from monocrystalline or polycrystalline solids through semiconductors and metalloids, ceramic oxides, and thinlayer superlattices are increasingly used in thermoelectric modules.…”

Section: Introductionmentioning

confidence: 99%

An Efficient Electrothermal Model of a Thermoelectric Converter for a Thermal Energy Harvesting Process Simulation and Electronic Circuits Powering

Dziurdzia,

Bratek,

Markiewicz

2023

Energies

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This paper deals with an electrothermal model of a thermoelectric converter dedicated to performing simulations of coupled thermal and electrical phenomena taking place in harvesting processes. The proposed model is used to estimate the electrical energy gain from waste heat that would be sufficient to supply electronic circuits, in particular autonomous battery-less nodes of wireless sensor networks (WSN) and Internet of Things (IoT) devices. The developed model is not limited to low-power electronic solutions such as WSN or IoT; it can also be scaled up and applied to simulations of considerably higher thermal power conversion. In this paper, a few practical case studies are presented that show the feasibility and suitability of the proposed model for complex simultaneous simulation processes in both the electrical and thermal domains. The first example deals with a combined simulation of the electrothermal model of a thermoelectric generator (TEG) and an electronic harvester circuit based on Analog Devices’ power management integrated circuit LTC3108. The second example relates to the thermalization effect in heat sink-less harvesting applications that could be mitigated by a pulse mode operation. The unique contribution and advancement of the model is the hierarchical structure for scaling up and down, incorporating the complexity of the Seebeck effect, the Joule effect, heat conduction, as well as the temperature dependence of the used materials and the thermoelectric pellet geometries. The simulations can be performed in steady as well as transient states under changing electrical loads and temperatures.

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Challenges and perspective recent trends of enhancing the efficiency of thermoelectric materials on the basis of PbTe

Cited by 10 publications

References 179 publications

First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors

First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors

Improvement of mid-temperature ZT in a Bi-Se-Te via a two two-step sintering process

An Efficient Electrothermal Model of a Thermoelectric Converter for a Thermal Energy Harvesting Process Simulation and Electronic Circuits Powering

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Challenges and perspective recent trends of enhancing the efficiency of thermoelectric materials on the basis of PbTe

Cited by 10 publications

References 179 publications

First-principles calculations for heterostructure studies Involving CsPbI3 perovskite and IV-VI semiconductors

First-principles calculations for heterostructure studies Involving CsPbI3 perovskite and IV-VI semiconductors

Improvement of mid-temperature ZT in a Bi-Se-Te via a two two-step sintering process

An Efficient Electrothermal Model of a Thermoelectric Converter for a Thermal Energy Harvesting Process Simulation and Electronic Circuits Powering

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Product

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First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors

First-principles calculations for heterostructure studies Involving CsPbI₃ perovskite and IV-VI semiconductors