Two-Dimensional SnSe Composited with One-Dimensional Mn Nanowires: A Promising Thermoelectric with Ultrahigh Power Factor

Single crystal tin selenide (SnSe) has a recorded high thermoelectric figure of merit (ZT) value of 2.6 at 923 K, but it is easy to form mechanical cracks and difficult to apply in thermoelectric conversion devices. Polycrystalline SnSe has better mechanical properties but inferior ZT values, which needs further optimization for applications. This work aims at enhancing the thermoelectric performance of polycrystalline SnSe through synergistic optimization of sliver (Ag) and aluminum (Al) co‐doping with the hydrogen reduction. The effects of Ag and Al doping on electronic transport properties are systematically investigated by density functional theory calculation and experimental measurement. Compared with pristine SnSe, Ag doping can effectively increase the hole concentration to 1.58 × 1019 cm−3 and improve the conductivity. Results also indicate that using Al dopant may slightly decrease the hole concentration but reduce the thermal excitation temperature, and introduce point defects reducing the lattice thermal conductivity through scattering phonons. In addition, the hydrogen reduction of sample powders before synthesis can effectively remove Sn oxides and reduce lattice thermal conductivity. At last, a state‐of‐the‐art maximum ZT value of 1.69 at 823 K is obtained in Ag0.01Al0.01Sn0.98Se. This study provides a theoretical basis and technical guidance for designing high‐performance polycrystalline SnSe.

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“…This deviation may also result from the approximation of τ beyond 300 K and the uncertainties of measurement. [ 71,72 ]…”

Section: Resultsmentioning

confidence: 99%

Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction

Xin

Shen

et al. 2022

Adv Elect Materials

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“…The effective mass is related to the Seebeck coefficient ( S ), carrier mobility ( μ ) and electron group velocity ( v g ) by the following relations: 2,37,47 …”

Section: Resultsmentioning

confidence: 99%

Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa₂Te₄:ab initiostudy

et al. 2022

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“…Therefore, one can conclude that they have two CBMs, which are desirable for generating large transport coefficients in n-type doping. The overlap of the CBEs and CBM results in high transport of electrons without inter-valley scattering effect 45 .…”

Section: Resultsmentioning

confidence: 99%

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Mohebpour

Mozvashi

Vishkayi

et al. 2021

Sci Rep

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Ever since global warming emerged as a serious issue, the development of promising thermoelectric materials has been one of the main hot topics of material science. In this work, we provide an in-depth understanding of the thermoelectric properties of X$$_2$$ 2 YH$$_2$$ 2 monolayers (X=Si, Ge; Y=P, As, Sb, Bi) using the density functional theory combined with the Boltzmann transport equation. The results indicate that the monolayers have very low lattice thermal conductivities in the range of 0.09−0.27 Wm$$^{-1}$$ - 1 K$$^{-1}$$ - 1 at room temperature, which are correlated with the atomic masses of primitive cells. Ge$$_2$$ 2 PH$$_2$$ 2 and Si$$_2$$ 2 SbH$$_2$$ 2 possess the highest mobilities for hole (1894 cm$$^2$$ 2 V$$^{-1}$$ - 1 s$$^{-1}$$ - 1 ) and electron (1629 cm$$^2$$ 2 V$$^{-1}$$ - 1 s$$^{-1}$$ - 1 ), respectively. Si$$_2$$ 2 BiH$$_2$$ 2 shows the largest room-temperature figure of merit, $$ZT=2.85$$ Z T = 2.85 in the n-type doping ( $$\sim 3\times 10^{12}$$ ∼ 3 × 10 12 cm$$^{-2}$$ - 2 ), which is predicted to reach 3.49 at 800 K. Additionally, Si$$_2$$ 2 SbH$$_2$$ 2 and Si$$_2$$ 2 AsH$$_2$$ 2 are found to have considerable ZT values above 2 at room temperature. Our findings suggest that the mentioned monolayers are more efficient than the traditional thermoelectric materials such as Bi$$_2$$ 2 Te$$_3$$ 3 and stimulate experimental efforts for novel syntheses and applications.

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Two-Dimensional SnSe Composited with One-Dimensional Mn Nanowires: A Promising Thermoelectric with Ultrahigh Power Factor

Cited by 9 publications

References 65 publications

Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction

Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction

Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa₂Te₄:ab initiostudy

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

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Two-Dimensional SnSe Composited with One-Dimensional Mn Nanowires: A Promising Thermoelectric with Ultrahigh Power Factor

Cited by 9 publications

References 65 publications

Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction

Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction

Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa2Te4:ab initiostudy

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

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Product

Resources

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Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa₂Te₄:ab initiostudy