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Acta Metallurgica Sinica-English Letters · 2025 · IF 3.9

Impact of CuFeS2 on the Thermoelectric Performance of SnTe

Yuan Baocheng,Wen Yi,Wang Lei,Li Zhihao,Wang Hong-Chao,Chang Cheng,Zhao Li-Dong

Thermoelectric materials possess tremendous potential in energy regeneration owing to their capacity to produce power directly from heat. SnTe, a lead-free compound, is a prospective thermoelectric material. However, because of its elevated thermal conductivity, the thermoelectric performance of undoped SnTe remains at a low level. In this work, we induce ternary compounds CuFeS 2 into the SnTe matrix by ball milling. We observe the decomposition of CuFeS 2 , which decomposes into FeS, Cu 2 S, and other binary compounds. These newly generated binary compounds form micropores and secondary phases in the matrix. Combined with the natural grain boundaries in the polycrystal, they form all-scale hierarchical structures within the material, resulting in reduced lattice thermal conductivity. Overall, the produced SnTe + 2 wt% CuFeS 2 composites show the peak dimensionless figure of merit ( ZT ) up to 0.33 at 673 K, an increase of ~ 100% compared to the undoped SnTe.

CAS / MDL: 13494-80-9
研究领域: 材料科学 · 能源工程
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JOURNAL OF ELECTRONIC MATERIALS · 2018 ·Vol. 47 ·期 12 ·7514-7519 · IF 1.566

Enhancement of the Thermoelectric Properties of Cu1.98Se by Na Doping

Zhu Z.,Zhang Y. W.,Song H. Z.,Li X. J.

Cu 1.98− x Na x Se nanopowders were synthesized using a hydrothermal method and hot-pressed into bulk pellets to assess the effects of Na doping on the thermoelectric properties of Cu 1.98 Se. The original layered microstructure was maintained at low doping levels, although nanopores, together with point defects, appeared to decrease the thermal conductivity. The thermoelectric properties of the material were improved by Na doping, resulting in a maximum ZT value of 1.32 for Cu 1.94 Na 0.04 Se at 973 K. The experimental data indicate that an optimal level of Na doping effectively improves the thermoelectric performance of non-stoichiometric Cu 1.98 Se.

研究领域: 材料科学 · 热电学
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CRYSTAL GROWTH & DESIGN · 2020 · IF 4.089

Bi8Se9: Effective Reduction of Bipolar Diffusion via Increasing Band Gap

Rui Wang,Fei Jia,Xuan Li,Ling Chen,Li-Ming Wu

The binary Bi/Se system with the general formula [Bi2]m[Bi2Se3]n exhibits intriguing properties, such as topological insulator and thermoelectric properties, and attracts intense attention. Herein, we found that the thermoelectric properties of BiSe at elevated temperatures have been deteriorated, because of the strong bipolar diffusion effect caused by its small band gap. Subsequently, with the aid of the crystal structure engineering strategy, we purposely involve less metallic [Bi2] layers in the crystal structure, and successfully synthesize a new n-type Bi8Se9 and investigate, for the first time, its thermoelectric properties. Bi8Se9 exhibits a significantly widened band gap from 0.085 eV in BiSe to 0.146 eV that effectively reduces the bipolar thermal conductivity from the 0.37 W m–1 K–1 in BiSe to 0.14 W m–1 K–1. As a result, Bi8Se9 realizes a balance between the electrical resistance, the Seebeck coefficient, and a lower thermal conductivity, and achieves a ZT value of 0.40 at 673 K, which is twice that of BiSe at 673 K.

研究领域: 材料科学 · 物理学
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CRYSTENGCOMM · 2022 ·Vol. 24 ·期 26 ·4772-4786 · IF 3.756

The effect of annealing in carbon powders on the anisotropy of the thermoelectric properties of SrTiO3−δ single crystals on the (001) crystal plane

Zhixin Ma,Yang Qi,Xiaoguo Bi,Xu-dong Liu,Xiaodong Li,Ji-guang Li,Xudong Sun

SrTiO3 has high thermoelectric properties and excellent high-temperature stability, which makes it a promising thermoelectric material for use in harsh environments. Hence, it has potential applications in power generation and sensors through direct conversion between heat and electricity. In this study, we investigated the crystal orientations on the crystal growth plane to seek the crystal orientation that is suitable for higher thermoelectric (TE) properties. The [510], [12 5 0] and [320] directions were selected which are on the (001) crystal plane and quarterly divide the angle between the [100] and [110] directions. Two common directions [100] and [110] were selected for comparison purposes. The SrTiO3 single crystals are annealed in carbon powders at 1573 K and 1673 K to form SrTiO3−δ. With the increase in annealing temperature, the electrical conductivity of SrTiO3−δ in the [510], [12 5 0] and [320] directions decreases, which is attributed to the decreasing carrier concentrations. This agrees well with the results calculated using the first-principles calculation. After annealing at 1573 K, the SrTiO3−δ single crystal exhibits the highest ZT value of 0.19 at 873 K in the [510] direction. However, the two common directions, [100] and [110], are not suitable for high thermoelectric properties. In particular, the SrTiO3−δ single crystal in the [12 5 0] direction can always exhibit higher PF and ZT values, regardless of the variation of the annealing temperature in carbon powders. The results of this study are imperative for the design and development of perovskite TE materials.

研究领域: 材料科学 · 热电材料
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Materials Horizons · 2022 ·Vol. 10 ·期 2 ·454-465 · IF 15.717

Emerging homogeneous superlattices in CaTiO3 bulk thermoelectric materials

Jianbo Li,Yanxia Wang,Xue Jiang,Zhen Tian,Huijun Kang,Zongning Chen,Enyu Guo,Zhiqiang Cao,Tongmin Wang

The thermal conductivity of superlattices is strongly reduced as compared to that of the parent materials due to phonon-scattering and thermal boundary resistances at the superlattice period interfaces. Herein, homogenous superlattices consisting of homogenous structural CeδCa1−δTiO3 and CaTi1−δCeδO3 alternate layers were obtained through a variable-valence Ce doping, providing multi-quantum well interfaces between the alternate layers due to Ce-substitution at Ca and Ti sites, respectively. This material comprising these homogenous superlattices displayed a significantly reduced lattice thermal conductivity of 1.82 W m−1 K−1 and a record high zT value of 0.405 at 1031 K in CaTiO3-based thermoelectric materials. This strategy of synthesizing homogeneous superlattices provides a cost advantage over heterogeneous superlattices prepared by the molecular beam epitaxy method and paves a route for preparing bulk superlattices with unique thermoelectric properties rooting in the quantum domain limiting effect.

研究领域: 材料科学 · 热电学
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APPLIED PHYSICS LETTERS · 2022 ·Vol. 120 ·期 19 · IF 3.971

Enhancing the thermoelectric performance of Ag2Se by non-stoichiometric defects

Wang Ping,Chen Jun-Liang,Zhou Qi,Liao Yun Tiao,Peng Ying,Liang Ji Sheng,Miao Lei

Ag 2 Se is an attractive candidate for room temperature thermoelectric applications because of its extremely low thermal conductivity, large power factor, and excellent mechanical properties. However, its performance is difficult to be improved effectively by doping other atoms. The traditional synthesis processes have the disadvantages of low yield, complex steps, and long period. In this study, the Ag 2 Se 1+ x samples were rapidly synthesized by the melting method via changing the ratio of Ag and Se. The carrier concentration and mobility of Ag 2 Se are optimized by adding excess Se, which could regulate non-stoichiometric defects in the process of synthesis. A high Seebeck coefficient of ∼136.0  μ V K −1 , a large power factor of ∼3000.0  μ W m −1  K −2 , and the maximum figure of merit ( ZT ) of ∼1.02 of the Ag 2 Se 1.015 sample have been achieved at 375 K. The ZT value is 2.3 times than that of the pristine sample (Ag 2 Se). The mechanical properties of the molting sample are comparable to state-of-the-art thermoelectric materials. Finally, the highest ZT value of the material is predicted by factor B . This work provides an idea for further optimizing Ag 2 Se-based and other non-stoichiometric thermoelectric semiconductors by a slight excess of Se. Moreover, the fast synthesis technology can significantly save time and energy, which manifests great advantages to the wholesale manufacturing industry.

研究领域: 材料科学 · 能源工程
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INORGANIC CHEMISTRY · 2018 · IF 4.7

Thermoelectric Material SnPb2Bi2S6: The 4,4L Member of Lillianite Homologous Series with Low Lattice Thermal Conductivity

Jingpeng Li,Yiming Zhou,Shiqiang Hao,Tianyan Zhang,Chris Wolverton,Jing Zhao,Li-Dong Zhao

Although the binary sulfides Bi2S3, PbS, and SnS have attracted extensive interest as thermoelectric materials, no quaternary sulfides containing Sn/Pb/Bi/S elements have been reported. Herein, we report the synthesis of a new quaternary sulfide, SnPb2Bi2S6, which crystallizes in the orthorhombic space group Pnma with unit cell parameters of a = 20.5458(12) Å, b = 4.0925(4) Å, c = 13.3219(10) Å. SnPb2Bi2S6 has a lillianite-type crystal structure consisting of two alternately aligned NaCl-type structural motifs separated by a mirror plane of PbS7 monocapped trigonal prisms. In the lillianite homologous series, SnPb2Bi2S6 can be classified as 4,4L, where the superscripted numbers indicate the maximum numbers of edge-sharing octahedra in the two adjacent NaCl-shaped slabs along the diagonal direction. The obtained SnPb2Bi2S6 phase exhibited good thermal stability up to 1000 K and n-type degenerate semiconducting behavior, with a power factor of 3.7 μW cm–1 K–2 at 773 K. Notably, this compound exhibited a very low lattice thermal conductivity of 0.69–0.92 W m–1 K–1 at 300–1000 K. Theoretical calculations revealed that the low thermal conductivity is caused by the complex crystal structure and the related elastic properties of a low Debye temperature, low phonon velocity, and large Grüneisen parameters. A reasonable figure of merit (ZT) of ∼0.3 was obtained at 770 K.

研究领域: 材料科学 · 物理学
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ACS Applied Materials & Interfaces · 2017 · IF 7.504

Enhancing the zT Value of Bi-Doped Mg2Si0.6Sn0.4 Materials through Reduction of Bipolar Thermal Conductivity

Wenhao Fan,Shaoping Chen,Bo Zeng,Qiang Zhang,Qingsen Meng,Wenxian Wang,Zuhair A. Munir

Solid solutions of Mg2Si0.6Sn0.4–xBix with 0 ≤ x ≤ 0.03 were prepared by a one-step synthesis and consolidation method, using MgH2 as a starting material. The thermoelectric properties of these samples were evaluated over the temperature range 300–775 K. Figure of merit, zT, values were determined over this range for all compositions and found to increase with temperature reaching a value of 1.36 at 775 K for samples with x = 0.02. Examination of the components of the total thermal conductivity showed that the bipolar thermal conductivity is suppressed by an increase in the band gap, resulting from solid solution formation, and by low minority carrier mobility. The suppression of the bipolar thermal conductivity is believed to be the consequence of charged grain boundaries.

CAS / MDL: 7440-69-9 7440-21-3
研究领域: 材料科学 · 热电学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2017 · IF 3.133

Enhancing thermoelectric performance of SnTe via nanostructuring particle size

Xiao Zhang,Yiming Zhou,Yanling Pei,Yuexing Chen,Bifei Yuan,Shuangmei Zhang,Yuan Deng,Shengkai Gong,Jiaqing He,Li-Dong Zhao

SnTe, one lead-free analogue of PbTe, has been paid attention in thermoelectric community because it has the similar rock-salt crystal structure and electronic band structure . However, SnTe possesses a very high total thermal conductivity (∼10.0 W m −1  K −1  at room temperature) and a mediocre ZT (∼0.2 at 723 K). In this study, to reduce its thermal conductivity, we prepare SnTe samples by melting reaction followed by mechanical alloying and spark plasma sintering . We demonstrate that both total thermal conductivity and lattice thermal conductivity can be considerably reduced through reducing particle size from micro-scale to nano-scale via facially mechanical alloying method. Experimental results show that the total thermal conductivity at room temperature can be reduced from ∼10 W m −1  K −1 for SnTe ingot to ∼3Wm −1  K −1 for SnTe with mechanical alloying 25 h. Correspondingly, the lattice thermal conductivity at room temperature was reduced from ∼5Wm −1  K −1 to ∼2Wm −1  K −1 . Combination of reduced thermal conductivity and moderate power factor, average ZT ave can be increased by 33.3%, from 0.09 for SnTe ingot to 0.12 for SnTe with nano-grain size.

CAS / MDL: 7440-31-5 13494-80-9
研究领域: 材料科学 · 热电学
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Materials · 2024 ·Vol. 17 ·期 7 ·1509 · IF 3.1

Optimizing Thermoelectric Performance of Hybrid Crystals Bi2O2Se1−xTex in the Bi2O2X System

Fan Xie,Zhiyao Ma,Jian Zhou

In addressing the global need for sustainable energy conversion, this study presents a breakthrough in thermoelectric materials research by optimizing the Bi2O2Se1–xTexsystem in the Bi2O2Se/Bi2O2Te pseudobinary series. Leveraging the principles of innovative transport mechanisms and defect engineering, we introduce tellurium (Te) doping into Bi2O2Se to enhance its thermoelectric properties synergistically. With the help of various advanced characterization tools such as XRD, SEM, TEM, XPS, FTIR, TGA, LFA, and DSC, combined with relevant resistance and density measurement techniques, we conducted an in-depth exploration of the complex interactions between various factors within thermoelectric materials. We recognize that the balance and synergy of these factors in the thermoelectric conversion process are crucial to achieving efficient energy conversion. Through systematic research, we are committed to revealing the mechanisms of these interactions and providing a solid scientific foundation for the optimal design and performance enhancement of thermoelectric materials. Finally, the advantage coefficient (ZT) of the thermoelectric material has been significantly improved. The crystallographic analysis confirms the formation of a continuous series of mixed crystals with varying Te concentrations, adhering to Vegard’s law and exhibiting significant improvements in electrical and thermal conductivities. The Bi2O2Se1–xTexcrystals, particularly the Bi2O2Se0.6Te0.4composition, demonstrate a peak ZT of 0.86 at 373 K. This achievement aligns with recent advancements in defect-enabled mechanisms and band convergence and sets a new standard for high-performance thermoelectrics. The study’s findings contribute significantly to the ongoing quest for efficient thermal-to-electrical energy conversion, offering a promising avenue for future sustainable energy technologies.

CAS / MDL: 7440-69-9 7782-49-2
研究领域: 材料科学 · 能源转换技术
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Nanomaterials · 2022 ·Vol. 12 ·期 9 ·1575 · IF 5.719

Enhanced Thermoelectric Properties of Te Doped Polycrystalline Sn0.94Pb0.01Se

Fujin Li,Lin Bo,Ruipeng Zhang,Sida Liu,Junliang Zhu,Min Zuo,Degang Zhao

Thermoelectric materials can directly convert heat and electricity, which is a kind of promising energy material. In view of cost and mechanical properties, polycrystalline SnSe material with highzTvalue is greatly desired. In this study, polycrystalline Sn0.94Pb0.01Se1-xTexsamples were prepared by the vacuum melting–hot pressing sintering method. Sn vacancies, Pb and Te atoms were simultaneously introduced into the polycrystalline SnSe. The power factor of Sn0.94Pb0.01Se1-xTexsamples was decreased, which could be attributed to the generation ofn-type semiconductor SnSe2. In addition, the phonons were strongly scattered by point defects and dislocations, which led to the decrease of thermal conductivity—from 0.43 Wm−1K−1to 0.29 Wm−1K−1at 750 K. Finally, the polycrystalline Sn0.94Pb0.01Se0.96Te0.04sample achieved the maximumzTvalue of 0.60 at 750 K.Keywords:SnSe;nanoparticles;zT;thermoelectric;TEM

研究领域: 材料科学 · 能源工程
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Simultaneous realization of high power factor and low thermal conductivity in medium-entropy La-doped (Sr1/3Ba1/3Ca1/3)1-xLaxTiO3 oxides with porous structure

Juan Bi,Yuxin Liang,Yang Bai,Baoning Cui,Zhaopeng Lu,Bangsheng Li

Some studies have proven the effectiveness of high-entropy alloying in reducing lattice thermal conductivity; however, the synchronous degradation in carrier mobility limits the thermoelectric properties of high-entropy materials. Herein, we present a series of medium-entropy oxides (Sr 1/3 Ba 1/3 Ca 1/3 ) 1-x La x TiO 3 (x = 0.05, 0.1, 0.15) with different levels of La doping, breaking the trade-off between carrier and phonon transport. The medium-entropy design helps keep the carrier mobility at a moderate level while modulating the carrier concentration through La 3+ doping, thereby yielding a peak power factor value of 1842 μW/(m⋅K 2 ) at 773 K. Meanwhile, the incorporation of nano-micro-porous structure and medium entropy effect leads to a significant reduction in lattice thermal conductivity, reaching 2.3 W/(m⋅K) at 1073 K. Consequently, a ZT max value of 0.67 is obtained for the MEP-10La sample at 1073 K, which is one of the state-of-the-art ZT values reported for the SrTiO 3 -based materials. The present work provides a viable approach for the development of thermoelectric materials with enhanced performance.

研究领域: 材料科学 · 热电学
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