Solid‐State Janus Nanoprecipitation Enables Amorphous‐Like Heat Conduction in Crystalline Mg<sub>3</sub>Sb<sub>2</sub>‐Based Thermoelectric Materials

Shu, Rui; Han, Zhijia; Elsukova, Anna; Zhu, Yongbin; Qin, Peng; Jiang, Feng; Lu, Jun; Persson, Per O. Å.; Pališaitis, Justinas; Febvrier, Arnaud Le; Zhang, Wenqing; Cojocaru‐Mirédin, Oana; Yu, Yuan; Eklund, Per; Liu, Weishu

doi:10.1002/advs.202202594

Cited by 18 publications

(9 citation statements)

References 46 publications

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“…At 300 K, the Lorenz numbers of β-PdS 2 , β-PdSe 2 , and β-PdTe 2 monolayers are 1.4–2.2, 1.4–2.5, and 1.5–2.3 × 10 –8 WΩ K –2 for n-type β-PdX 2 and 1.0–1.5, 1.6–2.2, and 1.3–2.6 × 10 –8 WΩ K –2 for p-type β-PdX 2 , respectively. In addition, L can be also estimated by the corresponding S values, − which is expressed by L = 1.5 + exp [ − | S | 116 ] …”

Section: Resultsmentioning

confidence: 99%

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

et al. 2022

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Transition metal dichalcogenides have attracted extensive research attention due to their unique electronic, topological, and optical properties. Based on first-principles methods and Boltzmann transport theory, the thermoelectric performance of β-PdX 2 (X = S, Se, and Te) monolayers was comprehensively studied in this work. It is worth noting that the structural anisotropy of β-PdX 2 monolayers leads to obvious anisotropy of thermoelectric coefficients along the x and y directions. By investigating the thermal transport up to fourphonon scattering, it was found that the strong higher-order phonon scattering plays a decisive role in ultra-low lattice thermal conductivity of β-PdX 2 monolayers. A low lattice thermal conductivity of 3.4 (1.0) W m −1 K −1 is predicted for β-PdTe 2 at 300 K along the x (y) direction. In addition, due to the suitable band gap and high carrier mobility, the highest power factor of 25.7 mW m −1 K −2 is obtained in n-type β-PdX 2 monolayers, which is superior to many other two-dimensional thermoelectric materials. Finally, a maximum ZT of 5.2 is achieved for the n-type β-PdS 2 monolayer along the y direction at 600 K. Meanwhile, the maximum p-type ZT also reaches 3.3 along the y direction at 600 K in the β-PdSe 2 monolayer. Our results demonstrate that β-PdX 2 monolayers are promising candidates for two-dimensional thermoelectric materials with excellent conversion performance.

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Section: Resultsmentioning

confidence: 99%

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

et al. 2022

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“…The formation of such multiscale microstructures can scatter broad wavelength phonons accumulatively. 64 , 65 Figure S6 in the supporting information depicts the impact of defects with varying scales on the κ L , quantified through the Debye-Callaway model. 66 …”

Section: Resultsmentioning

confidence: 99%

Two-step phase manipulation by tailoring chemical bonds results in high-performance GeSe thermoelectrics

Yao,

Zhang,

Lyu

et al. 2023

The Innovation

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“…[22] Nonetheless, the temperature-dependent 𝜅 L of the Cu 7 PS 6 sample follows a power law of 𝜅 L ∝T 4.6E − 4 from 100 to 573 K (inset of Figure 5a), approaching the amorphous limit 𝜅 L ∝T 0 . [22] Therefore, despite its crystalline structure, the Cu 7 PS 6 sample exhibits an amorphouslike ultralow K L in the temperature range of 100-573 K, evoking similarities with the thermal transport behavior observed in amorphous materials. [23] In accordance with the heat conduction mechanisms proposed by Allen and Feldman for the amorphous or disordered systems, [24] the short-range heat carriers with phonon mean paths either shorter than or comparable to the Ioffe-Regel limit undergo wave-like diffusion through a Zener-like tunneling between quasi-degenerate vibrational eigenstates.…”

Section: Amorphous-like Ultralow Lattice Thermal Conductivitiesmentioning

confidence: 91%

Amorphous‐Like Ultralow Thermal Transport in Crystalline Argyrodite Cu₇PS₆

Shen,

Ouyang,

Huang

et al. 2024

Advanced Science

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Due to their amorphous‐like ultralow lattice thermal conductivity both below and above the superionic phase transition, crystalline Cu‐ and Ag‐based superionic argyrodites have garnered widespread attention as promising thermoelectric materials. However, despite their intriguing properties, quantifying their lattice thermal conductivities and a comprehensive understanding of the microscopic dynamics that drive these extraordinary properties are still lacking. Here, an integrated experimental and theoretical approach is adopted to reveal the presence of Cu‐dominated low‐energy optical phonons in the Cu‐based argyrodite Cu7PS6. These phonons yield strong acoustic‐optical phonon scattering through avoided crossing, enabling ultralow lattice thermal conductivity. The Unified Theory of thermal transport is employed to analyze heat conduction and successfully reproduce the experimental amorphous‐like ultralow lattice thermal conductivities, ranging from 0.43 to 0.58 W m−1 K−1, in the temperature range of 100–400 K. The study reveals that the amorphous‐like ultralow thermal conductivity of Cu7PS6 stems from a significantly dominant wave‐like conduction mechanism. Moreover, the simulations elucidate the wave‐like thermal transport mainly results from the contribution of Cu‐associated low‐energy overlapping optical phonons. This study highlights the crucial role of low‐energy and overlapping optical modes in facilitating amorphous‐like ultralow thermal transport, providing a thorough understanding of the underlying complex dynamics of argyrodites.

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Solid‐State Janus Nanoprecipitation Enables Amorphous‐Like Heat Conduction in Crystalline Mg₃Sb₂‐Based Thermoelectric Materials

Cited by 18 publications

References 46 publications

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Two-step phase manipulation by tailoring chemical bonds results in high-performance GeSe thermoelectrics

Amorphous‐Like Ultralow Thermal Transport in Crystalline Argyrodite Cu₇PS₆

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Solid‐State Janus Nanoprecipitation Enables Amorphous‐Like Heat Conduction in Crystalline Mg3Sb2‐Based Thermoelectric Materials

Cited by 18 publications

References 46 publications

Two-Dimensional β-PdX2 (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Two-Dimensional β-PdX2 (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Two-step phase manipulation by tailoring chemical bonds results in high-performance GeSe thermoelectrics

Amorphous‐Like Ultralow Thermal Transport in Crystalline Argyrodite Cu7PS6

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Solid‐State Janus Nanoprecipitation Enables Amorphous‐Like Heat Conduction in Crystalline Mg₃Sb₂‐Based Thermoelectric Materials

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Two-Dimensional β-PdX₂ (X=S, Se, and Te) Monolayers with Promising Potential for Thermoelectric Applications

Amorphous‐Like Ultralow Thermal Transport in Crystalline Argyrodite Cu₇PS₆