JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
·
2026
·Vol. 37
·期 14
·1093
·
IF 3.2
Ren Peifeng,Gao Xingchen,Fan Wenhao,Zhang Qiang,Chen Shaoping,Fan Jianfeng
Elemental doping plays a crucial role in optimizing carrier concentration and suppressing lattice thermal conductivity in thermoelectric materials. In this study, Cu atoms were doped in both n- and p-type Mg 3 Sb 2 -based thermoelectric compounds. The results indicate that the incorporation of Cu effectively improves the electrical transport properties of Mg 3 Sb 2 -based thermoelectric compounds while simultaneously suppressing their thermal transport, ultimately achieving enhanced thermoelectric properties: (a) For p-type Mg 3 Sb 2 , a small quantity of Cu atoms provides electrons in the lattice interstitial and thus compensates holes, leading to a decreased carrier concentration and electrical conductivity. However, with increasing Cu content, Cu atoms preferentially occupy Mg2 sites, thereby increasing hole concentration, and thus improving electrical conductivity. Further increasing Cu content, an MgCuSb secondary phase forms, which is unfavorable for overall p-type thermoelectric performance of the Mg 3 Sb 2 -based matrix due to the n-type transport of the MgCuSb compound. (b) For n-type Mg 3 Sb 2 , no such secondary phase was observed despite the same Cu-doping content, which involves a distinct doping mechanism from the p-type one. Consequently, the zT values of p-type Mg 3 Sb 2 materials are improved by 17%–33% over the whole temperature range. And regarding the n-type Mg 3 Sb 2 materials, the highest peak zT value of ~1.4 and average zT avg of ~1.04 are achieved. Therefore, the doping of the Cu element proves to be an effective way in optimizing thermoelectric properties of both p-type and n-type Mg 3 Sb 2 -based materials.
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DOI
高影响因子
Journal of Materials Chemistry A
·
2019
·Vol. 7
·期 33
·19316-19323
·
IF 10.733
Juan Li,Fei Jia,Shuai Zhang,Shuqi Zheng,Boyi Wang,Liqiang Chen,Guiwu Lu,Liming Wu
The introduction of point defects by extrinsic doping is an effective way to optimize the carrier concentration. Here, we show theoretically and experimentally that Pr is a more effective dopant than Te in Mg3Sb2. Using first-principles defect calculations, the predicted highest carrier concentration with Pr doping at 725 K can be up to ∼9.3 × 1019 cm−3, consistent with our experimental measurements. In addition, the point defects introduced by Pr substitution on the Mg sites lead the lattice thermal conductivity to be reduced to as low as 0.429 W m−1 K−1. By optimizing the Pr doping concentration, Mg3.2Pr0.02Sb1.5Bi0.5 exhibits a peak zT value of 1.70 at 725 K.
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DOI
高影响因子
ACS Applied Materials & Interfaces
·
2022
·
IF 10.383
Yachao Wang,Jie Chen,Yu Jiang,Marhoun Ferhat,Saneyuki Ohno,Zuhair A. Munir,Wenhao Fan,Shaoping Chen
The Zintl compound, n-type Mg3Sb2, has been extensively investigated as a promising thermoelectric material. However, performance degradation caused by the loss of Mg element during device preparation and service is a main disadvantage in its utilization in thermoelectric devices. To suppress volatilization, diffusion, or reaction of Mg, we designed a graded concentration junction to control the interfacial elemental diffusion and improve the stability of the thermoelectric joint. We utilized the reaction product at the Ni/Mg3.2Sb2Y0.05 interface, the phase Mg4.3Sb3Ni, as a barrier layer material, and prepared Mg4.3Sb3Ni/Mg3.2Sb2Y0.05/Mg4.3Sb3Ni junctions. The results show that the interface behavior of the thermoelectric junction is optimized by the gradation of elemental concentration, thermal expansion coefficient, and work function. The Mg4.3Sb3Ni/Mg3.2Sb2Y0.05/Mg4.3Sb3Ni single-leg device showed high thermal stability at 673 K for 20 days, the contact resistance was stable at around 10 μΩ cm2, and the shear strength was maintained at about 20 MPa. The conversion efficiency of its single-leg device maintains nearly 90% of the best performance after aging at 673 K for 20 days.
研究领域:
材料科学
·
热电学
·
固体物理
·
能源材料
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高影响因子
JOURNAL OF ELECTRONIC MATERIALS
·
2022
·Vol. 51
·期 4
·1591-1596
·
IF 2.047
Zhu Wenyan,Fang Wenqiang,Zou Jiahao,Zhu Shengjie,Si Jianxiao
n- type Mg 3 Sb 2 -based material is a promising thermoelectric material with less toxicity and more abundance. Herein, we successfully synthesized n- type polycrystalline Mg 3.5- x In x Sb 1.7 Bi 0.26 Te 0.04 ( x = 0, 0.01, 0.02, 0.03, 0.04) samples by rapid induction melting and hot pressing. The effect of indium doping on the thermoelectric properties of Mg 3 Sb 2 -based materials was investigated. Indium doping manipulates the grain boundary scattering, resulting in increased electrical conductivity and carrier mobility. Additionally, the lattice disorder induced by In strengthens the phonon scattering and suppresses lattice thermal conductivity. A peak ZT value of 1.27 is obtained at 773 K in the Mg 3.47 In 0.03 Sb 1.7 Bi 0.26 Te 0.04 sample, which is 26% higher than that of the In-free sample. Our work indicates that indium is an alternative metal addition to improve mobility and thermoelectric performance.
研究领域:
材料科学
·
热电学
·
固体物理
·
能源材料
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高影响因子
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
·
2023
·
IF 10.9
Huimin Zhang,Yachao Wang,Zuhair A. Munir,Yongzhong Zhang,Wenhao Fan,Shaoping Chen
Mg 3 Sb 2 -based thermoelectric materials have been the focus of widespread investigations as promising candidates for the harvesting of waste heat. Interface stability and service performance are key points for the commercial applications of these materials. We utilized Mg 4.3 Sb 3 Ni as a barrier layer to improve the thermal stability of Mg 3 Sb 2 -based devices. However, its intrinsic high resistivity contributed negatively to the desired performance of the device. In this work, we investigated two other Mg-Sb-Ni ternary phases, MgSbNi and MgSbNi 2 , as new barrier layer materials to connect with Mg 3.2 Sb 2 Y 0.05 . The results show that the efficiency of the Mg 1.2 SbNi/Mg 3.2 Sb 2 Y 0.05 /Mg 1.2 SbNi joint is increased by 33% relative to the higher Mg-content barriers due to lower resistivity. The system exhibited good interfacial compatibility and showed little change with aging at 673 K for 20 days.
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高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2026
·
IF 19.9
Zhou Li,Deming Dong,Xiaoyu Yang,Jun Qian,Mengruizhe Kong,Han Wan,Ni Ma,Wei Bai,Pengfei Nan,Binghui Ge,Jiming Song,G. Jeffrey Snyder,Yuan Yu
Grain boundary (GB) scattering of charge carriers plays an important role in the electrical properties of materials. For thermoelectrics, this scattering can significantly reduce the carrier mobility and output power. Various GB engineering strategies, such as increasing the grain size and decreasing the GB potential barrier height, have been demonstrated in n-type Mg 3 Sb 2 -based thermoelectrics. Yet, similar effects in p-type Mg 3 Sb 2 have been less reported, and effective methods to modify the GB potential are elusive. Here, we reveal that Cd can reduce the GB barrier height via segregation to the GB. The enrichment of Cd suppresses the formation of hole-killer defects (Sb Mg + ) and thus reduces the GB resistance, leading to significant improvements in the electrical conductivity and power factor. A two-phase model shows a progressive decrease in the GB barrier height with increasing Cd content. Simultaneously, the GB Cd segregation and grain-interior Cd alloying strengthen the phonon scattering and reduce the sound velocity, substantially reducing the thermal conductivity. Consequently, a maximum ZT of 0.84 is achieved in Mg 2.5 Cd 0.5 Sb 2– 1 at% NaF at 773 K. These findings unravel the hidden role of Cd in tuning the GB characteristics and the transport properties of Mg 3 Sb 2 , revisiting the functionality of conventional dopants in materials design.
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产品关联
DOI
高影响因子
Journal of Materials Chemistry A
·
2023
·Vol. 11
·期 35
·18811-18819
·
IF 11.9
Qiang Zhang,Jiadang Li,Nagendra S. Chauhan,Lifei Wang,Zhicheng Huang,Wenhao Fan,Kei Hayashi,Shaoping Chen,Jianfeng Fan,Yuzuru Miyazaki
Grain boundary (GB) scattering has been widely reckoned as a primary restraint on room-temperature (RT) carrier mobility in Mg3Sb2-based materials. In this work, two-dimensional graphene (G) with varied contents was added to single phase Mg3.24Sb1.5Bi0.49Te0.01 materials in order to tailor the highly resistive space-charge region at GBs. The results indicate that introducing G effectively lowers the carrier transport energy barrier Eb from 42 meV (pristine sample) to 18 meV (Mg3.24Sb1.5Bi0.49Te0.01/1.0 vol% G sample), and correspondingly increases the drift mobility by 112.5% from 32 cm2 V−1 s−1 to 68 cm2 V−1 s−1 at RT, leading to an enhanced power factor and thus ZT value. Besides, first-principles calculations were also performed to qualitatively bridge the underlying negative correlation between the electronic density of states (DOS) and GB potential barrier Eb. Moreover, the equivalent nano-particle phonon scattering is also realized through introducing the two-dimensional G, contributing to a moderate reduction in lattice thermal conductivity as quantitatively illustrated based on the Debye–Callaway model. Consequently, the figure of merit ZT for G-added samples is greatly improved in the entire temperature range compared with that of the G-free sample. This study opens up a new avenue for rationally engineering the grain boundary, via regulating interfacial electronic DOS, to optimize electrical transport properties and ZT values.
研究领域:
材料科学
·
物理学
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产品关联
DOI
高影响因子
Energy Materials
·
2026
·Vol. 6
·期 3
·N
·
IF 11.9
Jie Zhang\u003Csup\u003E1,\u003C\u002Fsup\u003E,Xiao-Lei Shi\u003Csup\u003E2,\u003C\u002Fsup\u003E,Li Zhang\u003Csup\u003E1,*\u003C\u002Fsup\u003E,Meng Li\u003Csup\u003E2\u003C\u002Fsup\u003E,Wenyi Chen\u003Csup\u003E2\u003C\u002Fsup\u003E,Jianfeng Zhu\u003Csup\u003E1\u003C\u002Fsup\u003E,Yanling Yang\u003Csup\u003E1,*\u003C\u002Fsup\u003E,Zhi-Gang Chen\u003Csup\u003E2,*\u003C\u002Fsup\u003E
p-Type Mg3Sb2 possesses strong thermoelectric potential, yet effective strategies to further enhance its performance remain underexplored. In this study, we investigated the p-type Zintl-phase compound Mg3Sb2 and proposed a Zn/Cu co-doping strategy to synergistically optimize carrier transport and lattice thermal conductivity. Mg3.1-xZnxSb2 (x = 0, 0.4, 0.6, and 0.8) and Mg2.3-yZn0.8CuySb2 (y = 0, 0.075, 0.100, and 0.125) series samples were prepared via high-energy ball milling followed by hot pressing. First-principles calculations reveal that substituting Mg sites with Zn and Cu induces pronounced band-structure modulation, shifting the Fermi level into the valence band and narrowing the bandgap. These effects collectively increase hole concentration and enhance electrical conductivity. Meanwhile, the mass fluctuation and local lattice distortion introduced by co-doping intensify phonon scattering, resulting in a substantial reduction in lattice thermal conductivity. Experimentally, Zn/Cu co-doping delivers a well-balanced optimization of thermoelectric transport properties. The Mg2.2Zn0.8Cu0.1Sb2 sample achieves a power factor of 351.99 μW cm-1 K-2 and a peak figure of merit (ZT) of 0.42 at 735 K, corresponding to a 147% improvement compared with the undoped sample. This work elucidates the synergistic effects of Zn/Cu co-doping in electronic band engineering and phonon modulation, offering a promising strategy for the rational design of high-performance p-type Mg3Sb2 and other Zintl-phase thermoelectric materials.
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高影响因子
Materials Today Physics
·
2022
·
IF 11.021
Lu Yu,Wenhao Li,Zipei Zhang,Sitong Wei,Juan Li,Zhen Ji,Jingxuan Zhuo,Guiwu Lu,Weiyu Song,Shuqi Zheng
N-type Mg 3 Sb 2 thermoelectric material has a complex crystal structure and electronic structure, which is a new thermoelectric material with excellent application prospects. The state density and band structure of Mg 24 Sb 16 and Bi/Se/Pr–Se/Nd–Se doped Mg 24 Sb 16 are first-principles calculated. Se/Pr–Se/Nd–Se doped increases the density of states around the Fermi level. Bi-doped does not impact the band structure because the electronic structure between Sb and Bi are similar. The band gap of Pr–Se/Nd–Se doped becomes narrower, which is more conducive to carrier transport and increases carrier concentration than that of single-doped Se. The experimental results show that Pr and Nd replace Mg to provide more electrons for the system. The carrier concentration of the co-doped sample increases significantly, thus improving the power factor and optimizing the samples' electrical properties. The highest ZT value of the Mg 3.2 Sb 1.5 Bi 0.49 Se 0.01 sample is 1.21. Pr–Se/Nd–Se co-doped ZT values are 1.67 and 1.74, respectively, 38% and 43% higher than the Mg 3.2 Sb 1.5 Bi 0.49 Se 0.01 sample. Multi-element doped is an effective strategy to improve the thermoelectric properties of materials .
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