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Energy & Environmental Science · 2024 ·Vol. 17 ·期 4 ·1416-1425 · IF 32.4

Exceptional thermoelectric performance in AB2Sb2-type Zintl phases through band shaping

Jingdan Lei,Hexige Wuliji,Qingyong Ren,Xiaowen Hao,Hongliang Dong,Heyang Chen,Tian-Ran Wei,Jiawei Zhang,Pengfei Qiu,Kunpeng Zhao,Xun Shi

Advanced thermoelectric technology requires high-performance materials with exceptional electrical performance for large power output during service. AB2Sb2-type Zintl phases, especially Mg3Sb2, have attracted great attention recently because of the advantages of high-performance, low-cost and nontoxic components. Currently, remarkably high thermoelectric figures of merit zT values of 1.7–1.9 are reported in n-type Mg3Sb2-based materials, but they are quite low in p-type materials because of the small valence band degeneracy Nv and relatively high band effective mass . Here, we propose a band shaping strategy to effectively enhance the material's electrical transports. Through alloying Zn at the Mg2 sites of Mg3Sb2, double band degeneracy is achieved. Further alloying Yb at the Mg1 sites, band edge effective mass is greatly reduced. Combining the optimized carrier concentration by Li doping, the maximum power factor and zT values are increased to 15.9 μW cm−1 K−2 and 1.4, respectively, superior to those of the vast majority of reported p-type AB2Sb2 Zintl phases. This work demonstrates that band edge shaping is very successful for the optimization of electrical transport and thermoelectric performance in semiconductors.

研究领域: 凝聚态物理 · 材料科学 · 半导体物理
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JOURNAL OF THE EUROPEAN CERAMIC SOCIETY · 2023 · IF 5.7

Thermoelectric properties of Yb-La-Nb-doped SrTiO3

Lei Zhang,Zheng Cao,Qing-Qiao Fu,Chun-Yu Li,Ya-Qian Du,Yan-Nan Li,Ta La,Dai-Bing Zhang,Jun Wang

Yb 2 Ti 2 O 7 exhibits ferromagnetic and magnetic properties , which are expected to exert a discernible influence on the thermoelectric properties of SrTiO 3 composite. The La-Yb-Nb-doped SrTiO 3 powders, synthesized via the hydrothermal method , were prepressed and then buried in carbon powder before being sintered in a muffle furnace at 1573 K for 5 h. The Yb dopant precipitated during the sintering process, leading to the in-situ formation of Yb 2 Ti 2 O 7 . The content of Yb 2 Ti 2 O 7 increased with an increasing Yb concentration, resulting in a reduction in thermal conductivity and grain boundary potentials, and an increase in the peak electrical conductivity . The La and Nb dopants affect the electrical conductivity and the Seebeck coefficient. Therefore, by controlling the La, Nb, and Yb ratios, the La8Yb2Nb15 sample achieved the largest power factor ( PF ) value of 0.9 mWm −1 K −2 and a low thermal conductivity of 2.9 W m −1 K −1 , resulting in a high ZT value of 0.32 at 1000 K.

研究领域: 材料科学 · 物理学
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Nature Communications · 2022 ·Vol. 13 ·期 1 ·1-10 · IF 17.694

Ag9GaSe6: high-pressure-induced Ag migration causes thermoelectric performance irreproducibility and elimination of such instability

Liu Jing-Yuan,Chen Ling,Wu Li-Ming

The argyrodite Ag 9 GaSe 6 is a newly recognized high-efficiency thermoelectric material with an ultralow thermal conductivity; however, liquid-like Ag atoms are believed to cause poor stability and performance irreproducibility, which was evidenced even after the 1 st measurement run. Herein, we demonstrate the abovementioned instability and irreproducibility are caused by standard thermoelectric sample hot-pressing procedure, during which high pressure promotes the 3-fold-coordinated Ag atoms migrate to 4-fold-coordinated sites with higher-chemical potentials. Such instability can be eliminated by a simple annealing treatment, driving the metastable Ag atoms back to the original sites with lower-chemical potentials as revealed by the valence band X-ray photoelectron chemical potential spectra and single crystal X-ray diffraction data. Furthermore, the hot-pressed-annealed samples exhibit great stability and TE property repeatability. Such a stability and repeatability has never been reported before. This discovery will give liquid-like materials great application potential.

研究领域: 材料科学 · 热电学 · 固体物理学
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ACS Applied Materials & Interfaces · 2023 · IF 9.5

High Thermoelectric Performance in Cu-Doped Bi2Te2.7Se0.33 Due to Cl Doping and Multiscale AgBiSe2

Abubakar Yakubu Haruna,Yubo Luo,Zheng Ma,Wang Li,Haiqiang Liu,Xin Li,Qinghui Jiang,Junyou Yang

The thermoelectric performance of n-type Bi2Te3 needs further enhancement to match that of its p-type Bi2Te3 counterpart and should be considered for competitive applications. Combining Cu/Cl and multiscale additives (AgBiSe2) presents a suitable route for such enhancement. This is evidence of the enhanced thermoelectric performance of Bi1.995Cu0.005Te2.69Se0.33Cl0.03. Moreover, by incorporating 0.65 wt % AgBiSe2 (ABS) into Bi1.995Cu0.005Te2.69Se0.33Cl0.03, we further reduce its lattice thermal conductivity to ∼0.28 W m–1 K–1 at 353 K owing to the extra phonon scattering of multiscale ABS. Additionally, the Seebeck coefficient enhances (−183.89 μV K–1 at 353 K) owing to the matrix’s reduced carrier concentration caused by ABS. As a result, we achieve a high ZT of ∼1.25 (at 353 K) and a high ZTave of ∼1.12 at 300–433 K for Bi1.995Cu0.005Te2.69Se0.33Cl0.03 + 0.65 wt % ABS. This work provides a promising strategy for enhancing the thermoelectric performance of n-type Bi2Te3 through Cu/Cl doping and ABS incorporation.

研究领域: 材料科学 · 能源材料 · 热电材料优化
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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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CHEMICAL PHYSICS LETTERS · 2025 · IF 3.1

Yttrium oxide decoration facilitated optimization of n-type skutterudites for enhanced thermoelectric performance

Lei Cao,Lin Liu,Kaiyi Luo,Pingping Qian,Haowen Chen,Yixiao Deng,Lei Yang,Xiaoyong Wu,Jun Tang

Skutterudites (SKDs) are promising thermoelectric (TE) materials due to their cost-effectiveness and favorable electrical properties. However, their high thermal conductivity limits thermoelectric conversion efficiency. Herein, Y 2 O 3 nanoparticles (NPs)-decorated n-type Yb 0.3 Co 4 Sb 12 were prepared by spark plasma sintering (SPS). The heterointerfaces created by Y 2 O 3 nanoparticles enhance charge carrier localization through O-Sb hybridization and O-Co bonding, which increases the Seebeck coefficient. Additionally, heterointerfaces scatter phonons, reducing thermal conductivity. Consequently, a figure of merit ( ZT ) value of ∼1.48 at 773 K and an average ZT ave of ∼1.0 (293 ∼ 823 K) were achieved in this work.

研究领域: 材料科学 · 能源工程
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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2018 ·Vol. 29 ·期 20 ·17367-17373 · IF 2.324

Facile preparation and thermoelectric properties of PEDOT nanowires/Bi2Te3 nanocomposites

Tian Zi-Han,Liu Hai-Hui,Wang Ning,Liu Yan-Xin,Zhang Xing-Xiang

Poly (3,4-ethylenedioxythiophene) nanowires (PEDOT NWs) with high electric conductivity were synthesized by a facile self-assembled micellar soft-template method. And then, Bi 2 Te 3 powders and Bi 2 Te 3 nanowires (Bi 2 Te 3 NWs) were added as inorganic filler to form the PEDOT NWs/inorganic nanocomposite films by a simple and convenient vacuum filtration method. The thermoelectric (TE) properties of the flexible films were characterized. PEDOT NWs film exhibited the high σ value of 249.5 S cm −1 and does not require any treatment at room temperature. By incorporating both Bi 2 Te 3 powders and Bi 2 Te 3 NWs into these PEDOT NWs, the power factor of the polymer/inorganic composite materials is enhanced. The resulting PEDOT NWs/Bi 2 Te 3 powders nanocomposite film exhibited a high power factor of 7.49 µW m −1 K −2 compared to that of 2.54 µW m −1 K −2 in PEDOT NWs. A maximum power factor of 9.06 µW m −1 K −2 is obtained from the PEDOT NWs/Bi 2 Te 3 NWs composite film containing 10 wt% Bi 2 Te 3 NWs at room temperature, which is about 3 of times that of the pure PEDOT NWs film. These composites provide a promising route to flexible and high-performance thermoelectric materials.

研究领域: 材料科学 · 纳米技术
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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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Journal of Materials Chemistry A · 2020 ·Vol. 8 ·期 11 ·5699-5708 · IF 11.301

Contrasting roles of small metallic elements M (M = Cu, Zn, Ni) in enhancing the thermoelectric performance of n-type PbM0.01Se

Xin Qian,Dongyang Wang,Yang Zhang,Haijun Wu,Stephen J. Pennycook,Lei Zheng,Pierre F. P. Poudeu,Li-Dong Zhao

The metallic elements with a small atomic radius can not only compensate for the intrinsic vacancies to improve the carrier mobility, but also can form interstitials to reduce lattice thermal conductivity. In this work, we investigate the contrasting roles of three different metallic elements with small atomic radius on the thermoelectric properties of n-type PbM0.01Se (M = Cu, Zn, Ni). We find that all the metallic elements can increase the carrier concentration as electron donors and improve the electrical transport properties. In addition, the lattice thermal conductivity of PbSe can be significantly decreased through the formation of interstitials by the incorporated extra metallic elements. We also find that the PbCu0.01Se sample exhibits a unique and complex behavior compared with the other samples due to the diffusion and the thermally activated oxidation of Cu+ ions. When the temperature increased to 673 K, the carrier concentration of PbCu0.01Se sample increases suddenly and continues to increase by nearly two folds, which we ascribe to the release of 3d orbital electrons in Cu+ ions. This results in a strong decoupling of the charge and heat transport in the material, which can be manifested by the overestimation of the electronic thermal conductivity when assuming strong electron–phonon coupling in Wiedemann–Franz law. A maximum ZT of ∼1.6 can be reached at 773 K and the average ZT of ∼0.96 can be achieved in PbCu0.01Se. Our results demonstrate the exceptional contrasting behavior of Cu in PbSe by comparing with Zn and Ni, and the thermoelectric performance of n-type PbSe can be enhanced through the introduction of extra metallic elements with small radius.

研究领域: 材料科学 · 物理学
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CERAMICS INTERNATIONAL · 2022 · IF 5.532

Enhancing thermoelectric properties of p-type (Bi,Sb)2Te3 via porous structures

Hao Zhao,Baoyin Xu,Zhanhui Ding,Yanfeng Xue,Jing Yang,Wei Zhao,Yongfeng Li,Bin Yao,Hongdong Li,Yucheng Lan

Bismuth telluride is a widely used commercial thermoelectric material with excellent thermoelectric performances near room temperature. Reducing thermal conductivity is one of the most effective ways to improve performances of thermoelectric materials. In this study, the thermal conductivity of the material was reduced by fabricating porous structures. Highly dense NaCl-(Bi,Sb) 2 Te 3 composites were fabricated by a high-pressure technology. The NaCl phase was then removed from the composites by ultrasonic washing to produce porous structures. The produced (Bi,Sb) 2 Te 3 porous materials possessed excellent thermoelectric properties. The porosity and pore size of the (Bi,Sb) 2 Te 3 porous materials increased with the increasing NaCl content, decreasing the thermal conductivity significantly. An ultra-low lattice thermal conductivity of 0.21 Wm −1 K −1  at 493 K was achieved when the porosity was 39%, almost the lowest lattice thermal conductivity reported for (Bi,Sb) 2 Te 3 bulk materials. The figure of merit ZT value was enhanced to 1.05 at 493 K when the porosity was 25%. Compared with the most compacted samples ( ZT  = 0.79 and porosity of 10%) prepared under the same conditions, the ZT value of the porous samples increased by 33%. This study indicated that porous thermoelectric materials can be prepared simply, quickly and efficiently by high-pressure/ultrasonication washing to improve thermoelectric performances, which has evident reference values for preparing other thermoelectric pore materials with enhancing behaviors.

CAS / MDL: 7647-14-5
研究领域: 材料科学 · 热电学
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JOURNAL OF SOLID STATE CHEMISTRY · 2021 · IF 3.498

Enhanced thermoelectric performance in MXene/SnTe nanocomposites synthesized via a facile one-step solvothermal method

Xu-Ping Jiang,Bang-Zhou Tian,Qiang Sun,Xu-Liang Li,Jie Chen,Jun Tang,Ping Zhang,Lei Yang,Zhi-Gang Chen

As a promising alternative to the toxic PbTe-based thermoelectric materials, eco-friendly SnTe has attracted considerable attention. Here, we use a facile solvothermal method to in-situ synthesize MXene/SnTe nanocomposites. Comprehensive characterization results indicate that the incorporation of two-dimensional MXene in SnTe matrix can suppress Sn vacancies to result in a reduced carrier concentration and induce abundant MXene/SnTe interfaces, which simultaneously optimizes the electrical and thermal transport properties. As a result, with the optimized MXene content, the maximum figure of merit of ∼0.63 ​at 823 ​K is obtained in SnTe with 0.6 ​wt% MXene, which shows a 60% enhancement compared to pristine SnTe. This work explores a new strategy to introduce two-dimensional MXene into SnTe-based materials with improved thermoelectric properties, which can inspire new pathways into designing and synthesizing high-performance thermoelectric materials .

研究领域: 材料科学 · 能源技术
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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY · 2023 · IF 10.9

Constructing cell-membrane-mimic grain boundaries for high-performance n-type Ag2Se using high-dielectric-constant TiO2

Yi-Yan Liao,Qiang Sun,Xu-Ping Jiang,Hao Wu,Bang-Zhou Tian,Ze-Gao Wang,Kun Zheng,Lei Yang

The coupling of charge carrier and phonon transport limits the application of Ag 2 Se as a low-toxic near-room-temperature thermoelectric material. Strategies that reduce the thermal conductivity via enhancing the phonon scattering usually lead to reduced carrier mobility due to high grain boundary potential barrier. In this study, we developed a cell-membrane-mimic grain boundary engineering strategy for decoupling the charge carrier and phonon scattering through decorating high-dielectric-constant rutile TiO 2 at Ag 2 Se grain boundaries to enable the charge carrier/phonon selective permeability. The nano-sized TiO 2 with high dielectric permittivity can secure the charge carrier transport by shielding the interfacial Coulomb potential to lower the energy barrier of grain boundaries, rendering an enhanced power factor. Additionally, benefited from the enhanced phonon scattering by TiO 2 nanoparticles, a significantly decreased lattice thermal conductivity of ∼0.20 W m −1 K −1 and a high zT of ∼0.97 at 390 K are obtained in the Ag 2 Se-based nanocomposites. This work demonstrates that such cell-membrane-mimic grain boundary engineering strategy may shed light on developing high-performance thermoelectric materials.

研究领域: 材料科学 · 物理学
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