High-performance in n-type PbTe-based thermoelectric materials achieved by synergistically dynamic doping and energy filtering

Liu, Hang-Tian; Sun, Qiang; Zhong, Yan; Deng, Qian; Gan, Lin; Lv, Fang-Lin; Shi, Xiao‐Lei; Chen, Zhigang; Ang, Ran

doi:10.1016/j.nanoen.2021.106706

Cited by 118 publications

(58 citation statements)

References 48 publications

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“…[34,41,44,48,52,62,65,74] known as energy-filtering effect (schematically displayed in Figure 5b), namely, carriers are selectively transmitted through the host-guest interfaces. [80,81] The effect is essentially an energy-dependent scattering process so one can use the scattering parameter r to assess it. A value higher than ionized impurity scattering parameter r = 3/2 implies that the energyfiltering effect is taking effect.…”

Section: Energy-filtering Effectmentioning

confidence: 99%

Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials

2022

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Thermoelectric materials have aroused wide attention because of the capability to directly convert heat into electricity. AgSbSe2 is a structural analogue of PbTe but does not contain toxic element Pb or expensive element Te. Besides, it possesses both high Seebeck coefficient and inherently low thermal conductivity, making AgSbSe2 a competitive candidate for mid‐temperature thermoelectric power generation. This review summarizes the most recent updates of AgSbSe2‐based thermoelectric compounds. It starts with a general introduction of the crystal and electronic band structures of pristine AgSbSe2 with particular emphasis on the debate about whether cations arrangement is ordered or disordered. We then discuss why AgSbSe2 displays glass‐like heat conduction despite its crystalline nature. Subsequently, the strategies of boosting the electrical properties of the titled compound are elaborated. Finally, we point out the challenges and outlooks toward the future development of AgSbSe2‐based thermoelectric materials.

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Section: Energy-filtering Effectmentioning

confidence: 99%

Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials

2022

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“…The performance of TEs is evaluated by the figure of merit ZT , which is defined as where S , σ, κ e , κ L , and T are the Seebeck coefficient, electrical conductivity, carrier thermal conductivity, lattice thermal conductivity, and absolute temperature, respectively. Since the very first application of TEs, people have been trying to find candidates with a high power factor (PF = S 2 σ) and a low thermal conductivity. − Over the past few decades, the performance of traditional TEs including Bi 2 Te 3 , − SiGe, − and PbTe − have reached a plateau, while the search and optimization of emerging new TEs, such as Cu 2 Se, , Mg 3 Sb 2 , − chalcopyrite, − BiCuSeO, − and so forth, have gradually become the frontier of TE studies. Among them, SnSe, with ultralow κ L and high ZT , has recently been regarded as a milestone of high-performance TE materials. , As in the same family, SnS has also received considerable attention because it is inexpensive, earth-abundant, and environment-friendly, especially suitable for large-scale industrial and commercial applications.…”

Section: Introductionmentioning

confidence: 99%

Doping Achieves High Thermoelectric Performance in SnS: A First-Principles Study

Tang

2022

ACS Appl. Mater. Interfaces

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Among the thermoelectrics discovered in the past few decades, SnS stands out as a promising candidate for its inexpensive, earth-abundant, and environment-friendly merits. However, with emerging research on optimizing the thermoelectric performance of SnS, there are not many theoretical studies giving explicit analysis about the underlying mechanism of charge and heat transport in the system. In this work, we find an abnormal optical-phonon-dominated κL in SnS with heat-carrying optical phonons showing higher group velocity than acoustic phonons. These high-velocity phonon modes are contributed by “antiphase” movements in the adjacent Sn–S sublayers. Meanwhile, we calculate the electrical properties with a nonempirical carrier lifetime and discover that the optical phonon also plays an essential role in the charge transport process, limiting the carrier mobility dominantly. Our calculation results suggest that p-type SnS can achieve a maximal ZT of 1.68 at 850 K and a hole concentration of 5.5 × 1019 cm–3 even without band engineering. We further investigate 11 possible dopants and screen out 4 candidates (Na, K, Tl, and Ag) that effectively boost the hole concentration in SnS. Defect calculations reveal that Na is the best dopant for SnS, while we also suggest K and Tl as potential candidates, for they can also help SnS achieve its optimal hole concentration. To ensure that each dopant reaches its best doping effect, we suggest that doped SnS samples be synthesized under sulfur-excess circumstances and the synthesis temperature be higher than 1353 K. Our findings provide insight into the charge and heat transport process of SnS and pave the way for the rational design of high-performance SnS-based thermoelectric materials.

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“…Generally, to further improve the ZT of polycrystalline SnSe, the carrier concentration n should be further tuned according to calculated results based on the single parabolic band (SPB) model and first-principles density functional theory (DFT) calculations . Band engineering based on doping and/or alloying with other materials can effectively tune the n , , while the energy filtering effect triggered by introducing effective nanoinclusions can improve S while keeping a high σ, leading to higher S 2 σ. Besides, lower κ (κ l ) values should be achieved, which can be realized by collaborative optimizations from multiple aspects such as critical conditions, defect engineering, and all-scale hierarchical architectures …”

Section: Resultsmentioning

confidence: 99%

Polycrystalline NiSe-Alloyed SnSe with Improved Medium-Temperature Thermoelectric Performance

et al. 2022

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Owing to its high cost-effectiveness and suitable band gap, polycrystalline SnSe shows promising thermoelectric performance. However, its high figure-of-merit ZT is always realized at high temperatures of >800 K, which limits the whole-temperature thermoelectric efficiency. Here, we report a promising average ZT of >0.45 from 500 to 800 K in NiSe-alloyed SnSe fabricated by step-by-step solvothermal synthesis, mechanical alloying, oxidation removal, and sparkle plasma sintering processes. The introduced p-type NiSe nanophases construct NiSe–SnSe interfaces to effectively filter the low-energy carriers, leading to a significantly improved Seebeck coefficient within the entire temperature range. Moreover, the highly conductive NiSe nanophases simultaneously act as “expressways” to accelerate the carrier transport, especially at low temperatures, leading to enhanced electrical conductivity and, in turn, an improved power factor. On the other hand, NiSe–SnSe interfaces further contribute to the observed low thermal conductivity. This work provides a unique NiSe-alloying strategy to fabricate polycrystalline SnSe with improved average ZT.

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High-performance in n-type PbTe-based thermoelectric materials achieved by synergistically dynamic doping and energy filtering

Cited by 118 publications

References 48 publications

Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials

Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials

Doping Achieves High Thermoelectric Performance in SnS: A First-Principles Study

Polycrystalline NiSe-Alloyed SnSe with Improved Medium-Temperature Thermoelectric Performance

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High-performance in n-type PbTe-based thermoelectric materials achieved by synergistically dynamic doping and energy filtering

Cited by 118 publications

References 48 publications

Advances and Challenges of AgSbSe2‐based Thermoelectric Materials

Advances and Challenges of AgSbSe2‐based Thermoelectric Materials

Doping Achieves High Thermoelectric Performance in SnS: A First-Principles Study

Polycrystalline NiSe-Alloyed SnSe with Improved Medium-Temperature Thermoelectric Performance

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Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials

Advances and Challenges of AgSbSe₂‐based Thermoelectric Materials