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Skutterudites
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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Advanced Energy Materials · 2025 · IF 26

Refined Compensation Doping and Off-Center Distortions Induced Performance Enhancement in N-Type Skutterudites Thermoelectrics

Yao Wang,Jianrui Wang,Xiao Xu,Yan Wang,Baohai Jia,Shangyang Li,Kornelius Nielsch,Jiaqing He

The excellent performance of skutterudites is related to the interrelated filling fraction and doping limitation of the intricate matrix. Especially for the investigation of n-type electronegatively filling samples, the exceptionally low doping capacity at Sb sites leads to severely compromised thermoelectric performance. Here, a breakthrough is achieved in surpassing conventional doping limits by developing a novel “electrical compensation-bonding modulation” method, contributing to the reconfiguration of the unique X 4 ring structure (Consists of Sb 4 units) in S 0.2 Se 0.05 Co 4 Sb 12-x Te x skutterudites. The modulated bond hierarchy and disorder enable a concurrent regulation of phonon and carrier transport, resulting in a significant improvement of the transport properties. Building upon this foundation, a revolutionary off-center state has been introduced to the matrix via continuous doping of Se at Sb sites, aimed at suppressing the lattice thermal conductivity. Ultimately, a peak zT of 1.8 at 800 K is achieved, with an average zT of 1.1 across the 300–800 K temperature range. This work provides a universal approach to overcome doping limits in Co 4 Sb 12 -based thermoelectrics.

CAS / MDL: 7704-34-9
研究领域: 材料科学 · 热电学 · 固态化学 · 能源材料
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Journal of Materials Chemistry A · 2018 ·Vol. 6 ·期 16 ·6772-6779 · IF 9.931

Scanning laser melting for rapid and massive fabrication of filled skutterudites with high thermoelectric performance

Fan Chen,Ruiheng Liu,Zheng Yao,Yunfei Xing,Shengqiang Bai,Lidong Chen

Skutterudite-based thermoelectric materials have great potential for use in waste heat recovery, but the conventional melting–quench–annealing process is not suitable for large-scale fabrication. In this study, we developed a rapid fabrication technique that combines scanning laser melting and spark plasma sintering to synthesize bulk n-type and p-type filled skutterudites. The kinetics process and microstructure evolution during the scanning laser melting and annealing were systematically investigated. Due to fast solidification in scanning laser melting, the peritectic segregation size of precursor resultants is confined to several microns, which leads to great shortening of the fabrication period of filled skutterudites. The as-synthesized n-type and p-type filled skutterudites achieve excellent dimensionless figures of merit: ZT ∼ 1.23 at 850 K for Yb0.4Co4Sb12.1; ZT ∼ 1.09 at 700 K for In0.5Co4Sb12.1; ZT ∼ 0.79 at 750 K for Ce0.95Fe3CoSb12.1, which are among the highest values of single filled skutterudites. The shortened processing period and enhanced thermoelectric performance make this novel synthesis method suitable for industrial-level large-scale fabrication of skutterudite-based thermoelectric materials.

研究领域: 材料科学 · 热电材料 · 金属学与冶金工程 · 固态物理 · 先进制造技术
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Crystals · 2024 ·Vol. 14 ·期 8 ·728 · IF 2.4

Enhanced Thermoelectric Transport Properties of Electronegative-Element-Filled and (Ni, Te) Co-Doped Skutterudites through S Filling

Boyu Wang,Zhiyuan Jiang

Recently, there has been a growing interest in skutterudite (SKD) compounds containing electronegative elements such as Br, Cl, S, Se, and Te, owing to their increased diversity and the versatility of filler atoms. This study focused on the thermoelectric performance of a series of (Ni, Te) co-doped SKDs filled with the electronegative element S, denoted as SxNi0.4Co3.6Sb11.2Te0.8(x= 0, 0.1, 0.2, and 0.3). These compounds were prepared using a combination of a solid-state reaction and spark plasma sintering techniques. The results showed that (Ni, Te) co-doping introduced excess electrons in the SKD lattice, while the incorporation of the element S into the SKD voids optimized carrier concentration. This led to a considerable increase in the absolute Seebeck coefficient to 110.6 μV K−1at ambient temperatures. The presence of S fillers induced phonon resonance scattering and point scattering, which reduced lattice thermal conductivity and ultimately improved the thermoelectric figure of meritzT, which reached 0.93 for S0.3Ni0.4Co3.6Sb11.2Te0.8at 823 K.

研究领域: 材料科学 · 物理学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2023 · IF 6.2

Enhanced thermoelectric properties of Mm-filled p-type (Fe, Co)Sb3 skutterudites via Co/Fe ratio regulation and extra Sb compensation

Xiaofang Cao,Mingkai He,Baopeng Ma,Shixuan Liu,Xiaohui Pang,Mingzhen Song,Fudong Zhang,Xiaolian Chao,Zupei Yang,Di Wu

The band degeneracy thus thermoelectric performance of (Fe, Co)Sb 3 based p -type skutterudites can be well modulated by adjusting Co/Fe ratio. Combining systematic experiments and density function theory (DFT) calculations, we revealed in this work that the variation of Co/Fe ratio could result in complicated and mutually coupled effects on the individual thermoelectric parameters (band degeneracy, band gap, Fermi level , filling limit of fillers, phonon spectrum, etc.) and that using Co/Fe ratio to improve the overall thermoelectric figure of merit is nontrivial. We eventually found that the optimal Co/Fe ratio for Mm (Misch metal) filled (Fe, Co)Sb 3 lies at 1.3:2.7, which is somewhat off the Co/Fe = 1:3 point where the largest valence band degeneracy appears. Extra Sb was then introduced to compensate Sb volatilization for improved electrical transport performance. An overall peak figure of merit ZT max of 1.06 was eventually achieved in the sample Mm 0.8 Fe 2.7 Co 1.3 Sb 12.60 , which is among the highest ones for all reported (Fe, Co)Sb 3 based p -type skutterudites so far.

研究领域: 材料科学 · 热电学 · 凝聚态物理 · 能源材料
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