Donor-like Effect and Thermoelectric Performance in p-Type Bi0.5Sb1.5Te3 Alloy

Liu, Zhiqiang; Ke-Ke, Liu; Li, Qiang; Qin, HU; Liping, FENG; Zhang, Qingjie; Jin-Song, None Wu; Su, Xianli; Tang, Xinfeng

doi:10.15541/jim20230121

Cited by 1 publication

(1 citation statement)

References 39 publications

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“…迄今为止, 大量研究表明Bi 2 Te 3 基化合物中存在复杂的缺陷结构, 包括阴离子空位、阳离子空位、间隙原子以及反位缺陷等 [14][15][16][17][18][19][20] . 实际上缺陷的种类、浓度和排布方式均会直接影响材料的载流子浓度和热输运性能, 进而影响材料热电性能 [21][22][23][24][25][26][27] .…”

Section: 由于范德瓦耳斯间隙的影响沿面外方向的声子输unclassified

Defect structure regulation and thermoelectric transfer performance in n-type Bi2–x SbxTe3–ySey-based compounds

Li,

Luo,

et al. 2024

Acta Phys. Sin.

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Bi2Te3-based compounds are the best performing thermoelectric materials near room temperature. The presence of numerous complex defects renders defect engineering as the core stratagem for modulating and improving the thermoelectric performance.Therefor rationally understanding and effectively controlling the existence form and concentration of defects are crucial for achieving high-thermoelectric performance in Bi2Te3-based alloys.Herein, a series of Cl doped n-type quaternary Bi2-xSbxTe3-ySey compounds were synthesized by zone-melting method. The correlation between defect evolution process and thermoelectric performance were systematically investigated by first-principles calculation and experiments.Alloying Sb on Bi site and Se on Te site induce charged structural defects, leading to a significant change in the carrier concentration.For Bi2-xSbxTe2.994Cl0.006 compounds, alloying Sb on Bi site decreases the formation energy of the SbTe2 antisite defect,which generates the antisite defect SbTe 2 and accompanies with the increase of the minority carrier concentration from 2.09×1016cm-3 to 3.99×1017cm-3.The increase of the minority carrier severely deteriorates the electrical transport properties. In contrast, alloying Se in the Bi1.8Sb0.2Te2.994-ySeyCl0.006 compounds significantly lowers the formation energy of the complex defect SeTe+SbBi,which becomes more energetically favorable and suppresses the formation of the antisite defect SbTe 2. As a result,the concentration of minority carriers decreases to 1.46×1016cm-3.This eliminates the deterioration effect of the minority carrier on the electrical transport properties of the material and greatly boosts the power factor.A maximum power factor of 4.49 mW m-1 K-2 is achieved for Bi1.8Sb0.2Te2.944Se0.05Cl0.006 compound at room temperature.In conjunction with the reduced thermal conductivity by intensified phonon scattering via alloying Sb and Se, the maximum ZT value of 0.98 is attained for Bi1.8Sb0.2Te2.844Se0.15Cl0.006 compound at room temperature.Our finding provides an important guidance for modulating point defects, carrier concentration, and thermoelectric performance in Bi2Te3-based compounds with complex compositions.

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Section: 由于范德瓦耳斯间隙的影响沿面外方向的声子输unclassified

Defect structure regulation and thermoelectric transfer performance in n-type Bi2–x SbxTe3–ySey-based compounds

Li,

Luo,

et al. 2024

Acta Phys. Sin.

View full text Add to dashboard Cite

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Donor-like Effect and Thermoelectric Performance in p-Type Bi_0.5Sb_1.5Te₃ Alloy

Cited by 1 publication

References 39 publications

Defect structure regulation and thermoelectric transfer performance in n-type Bi<sub>2–<i>x</i></sub> Sb<sub><i>x</i></sub>Te<sub>3–<i>y</i></sub>Se<sub><i>y</i></sub>-based compounds

Defect structure regulation and thermoelectric transfer performance in n-type Bi<sub>2–<i>x</i></sub> Sb<sub><i>x</i></sub>Te<sub>3–<i>y</i></sub>Se<sub><i>y</i></sub>-based compounds

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