Ultralow Thermal Conductivity and Thermoelectric Properties of Rb2Bi8Se13

Cai, Songting; Hao, Shiqiang; Luo, Yubo; Su, Xianli; Luo, Zhongzhen; Hu, Xiaobing; Wolverton, Christopher; Dravid, Vinayak P.; Kanatzidis, Mercouri G.

doi:10.1021/acs.chemmater.0c00703

Cited by 29 publications

(30 citation statements)

References 59 publications

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“…A relatively low acoustic phonon mode can be observed, specifically along the Γ‐Y direction, which also results in lower phonon velocities and larger γ . Finally, the complex structure‐related low acoustic ω q , slow phonon velocity, and larger γ lead to an ultralow κ lat of ~0.45 Wm −1 K −1 at 300 K 285 . This mechanism has also been observed in other compounds with complex structures (Figure 24(D)).…”

Section: Intrinsically Low κLat For Heat Transportsupporting

confidence: 59%

“…This complex structure was confirmed by the atomic‐resolution HAADF image along the [100] direction (Figure 24(B)). 285 In the inset of Figure 24(B), two types of layers can be clearly noticed. Adjacent Bi atomic planes (~3.0 and ~ 1.0 Å) can be found in type‐I and type‐II layers, respectively.…”

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 93%

“…Complex structures, such as skutterudites, 275‐278 clathrates, 250,279 Zintl phases, 20,94,280,281 Tl‐based structures, 259,282 and Cu chalcogenides, 99,128,283,284 usually have larger volumes and higher atomic numbers of unit cell, which are the key factors for realizing low κ lat . Figure 24(A) shows a very complex monoclinic structure of Rb 2 Bi 8 Se 13 with the space group of P2 1 /m , 285 which can be divided into four segments: NaCl‐type, CdI 2 ‐type, and Sb 2 Se 3 ‐type Bi and Se chains along the [010] direction. The NaCl‐type chain is connected by the CdI 2 ‐type and Sb 2 Se 3 ‐type Bi chains, and the Rb atoms fill the void in the cage.…”

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

“…Adjacent Bi atomic planes (~3.0 and ~ 1.0 Å) can be found in type‐I and type‐II layers, respectively. Figure 24(C) presents the calculated phonon dispersion along the three crystal axes 285 . A relatively low acoustic phonon mode can be observed, specifically along the Γ‐Y direction, which also results in lower phonon velocities and larger γ .…”

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

See 4 more Smart Citations

Slowing down the heat in thermoelectrics

Qin

Wang

Zhao

2021

InfoMat

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Heat transport has various applications in solid materials. In particular, the thermoelectric technology provides an alternative approach to traditional methods for waste heat recovery and solid‐state refrigeration by enabling direct and reversible conversion between heat and electricity. For enhancing the thermoelectric performance of the materials, attempts must be made to slow down the heat transport by minimizing their thermal conductivity (κ). In this study, a continuously developing heat transport model is reviewed first. Theoretical models for predicting the lattice thermal conductivity (κlat) of materials are summarized, which are significant for the rapid screening of thermoelectric materials with low κlat. Moreover, typical strategies, including the introduction of extrinsic phonon scattering centers with multidimensions and internal physical mechanisms of materials with intrinsically low κlat, for slowing down the heat transport are outlined. Extrinsic defect centers with multidimensions substantially scatter various‐frequency phonons; the intrinsically low κlat in materials with various crystal structures can be attributed to the strong anharmonicity resulting from weak chemical bonding, resonant bonding, low‐lying optical modes, liquid‐like sublattices, off‐center atoms, and complex crystal structures. This review provides an overall understanding of heat transport in thermoelectric materials and proposes effective approaches for slowing down the heat transport to depress κlat for the enhancement of thermoelectric performance.

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Section: Intrinsically Low κLat For Heat Transportsupporting

confidence: 59%

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 93%

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

Section: Intrinsically Low κLat For Heat Transportmentioning

confidence: 99%

See 3 more Smart Citations

Slowing down the heat in thermoelectrics

Qin

Wang

Zhao

2021

InfoMat

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Radical Hybrids with Multiple Responses to Thermal Stimuli via Electron Transfer

Sang

Zeng

et al. 2022

Adv Funct Materials

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It is desirable to develop semiconductors with simultaneously multiple responses to single stimuli. Herein, a thermally responsive hybrid semiconductor (AEV)[Pb 2 Br 8 ] (AEV 4+ = 1,1′-bis(2-ammonioethyl)-[4,4′-bipyridine]-1,1′diium) is successfully prepared by introducing functionalized organic cations into 1D lead(II) chains. The lead(II) chain contains an edge-sharing PbBr 6 octahedron with highly electron-deficient cations distributed in the interspace of the inorganic framework. Interestingly, the as-formed hybrid exhibits extraordinary thermochromic behavior along with intriguing temperaturedependent conductivity and thermal conductivity due to the thermal motion of the electrons in the hybrid. Specifically, the color of the pristine hybrid changes from yellow to brown when the temperature rises to 70 °C, and gradually deepens as the temperature continues to rise, accompanied by the continuous decline in electric conductivity and thermal conductivity. Once heating is stopped, the color and conductivity recover to the original state in a few minutes. As demonstrated by electron paramagnetic resonance and X-ray photoelectron spectroscopy studies, the thermal-induced electron transfer is likely responsible for the intriguing thermally responsive behaviors. This work provides a paradigm for the modular and functional design of hybrid materials that manifest potential applications in semiconductor refrigeration, thermal power generation, intelligent circuit, and other opt-electronic devices.

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Chemical Pressure‐Induced Unconventional Band Convergence Leads to High Thermoelectric Performance in SnTe

Ming,

Luo,

Zou

2024

Advanced Science

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Band convergence is considered a net benefit to thermoelectric performance as it decouples the density of states effective mass () and carrier mobility (µ) by increasing valley degeneracy. Unlike conventional methods that typically prioritize at the expense of µ, this study theoretically demonstrates an unconventional band convergence strategy to enhance both and µ in SnTe under pressure. Density functional theory calculations reveal that increasing pressure from 0 to 5 GPa moves the Σ‐band of SnTe upward, reducing the energy offset between L‐ and Σ‐band from 0.35 to 0.2 eV while preserving the light band feature of the L‐band. Consequently, a high power factor (PF) of 119.2 µW cm−1 K−2 at 300 K is achieved for p‐type SnTe under 5 GPa. Chemical pressure also induces conduction band convergence, significantly enhancing the PF of n‐type SnTe. Additionally, the interplay between pressure‐induced phonon modes leads to a moderate increase in lattice thermal conductivity of SnTe below 3 GPa, which combined with the significantly enhanced PF, contributes to a large enhancement in ZT. Consequently, predicted ZT values of 2.12 at 650 K and 2.55 at 850 K are obtained for p‐ and n‐type SnTe, respectively, showcasing substantial performance enhancements.

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Ultralow Thermal Conductivity and Thermoelectric Properties of Rb₂Bi₈Se₁₃

Cited by 29 publications

References 59 publications

Slowing down the heat in thermoelectrics

Slowing down the heat in thermoelectrics

Radical Hybrids with Multiple Responses to Thermal Stimuli via Electron Transfer

Chemical Pressure‐Induced Unconventional Band Convergence Leads to High Thermoelectric Performance in SnTe

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