Pressure-induced remarkable four-phonon interaction and enhanced thermoelectric conversion efficiency in CuInTe2

Yue, Jincheng; Guo, Siqi; Li, Junda; Zhao, Jiahui; Shen, Chen; Zhang, Hongbin; Liu, Yanhui; Cui, Tian

doi:10.1016/j.mtphys.2023.101283

Cited by 6 publications

(5 citation statements)

References 72 publications

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“…[1][2][3][4][5] Thermoelectric (TE) materials, which can directly convert heat into electricity and vice versa, have attracted much attention. [6][7][8][9][10][11][12] The conversion efficiency of TE materials is measured by a figure of merit ZT = S 2 sT/(k L + k e ), where S, s, k e , k L , and T are Seebeck coefficient, electrical conductivity, electrical thermal conductivity, lattice thermal conductivity, and absolute temperature, respectively. 4,7 Therefore, an excellent thermoelectric material must have a high power factor PF (S 2 s) as well as a low thermal conductivity.…”

Section: Introductionmentioning

confidence: 99%

Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Guo,

Yue,

et al. 2024

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Guo,

Yue,

et al. 2024

Phys. Chem. Chem. Phys.

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“…A central focus in thermoelectric materials research is to notably enhance the conversion efficiency by minimizing irreversible heat transport and preserving favorable electrical transport properties. 3,4 Thus, the proposal of the phonon glass electron-crystal (PGEC) concept aims to identify highperformance thermoelectric materials. 5 In this paradigm, ordered crystals preserve favorable electronic properties while demonstrating lattice thermal conductivity (κ L ) comparable to that of amorphous solids or glasses.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Thermoelectric materials, directly converting heat into electricity, are presently being explored for various feasible waste heat recovery systems, including space-based applications and thermal data storage devices. , Generally, the thermoelectric maximum efficiency of thermoelectric materials is characterized by the dimensionless figure of merit, ZT = S 2 σ/κ, where S , σ, and κ represent the Seebeck coefficient, electrical conductivity, and thermal conductivity, respectively. A central focus in thermoelectric materials research is to notably enhance the conversion efficiency by minimizing irreversible heat transport and preserving favorable electrical transport properties. , Thus, the proposal of the phonon glass electron-crystal (PGEC) concept aims to identify high-performance thermoelectric materials . In this paradigm, ordered crystals preserve favorable electronic properties while demonstrating lattice thermal conductivity (κ L ) comparable to that of amorphous solids or glasses.…”

Section: Introductionmentioning

confidence: 99%

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu₅S₃

Yue,

Zheng,

et al. 2024

ACS Appl. Mater. Interfaces

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We thoroughly investigated the anharmonic lattice dynamics and microscopic mechanisms of the thermal and electronic transport characteristics in orthorhombic o-CsCu 5 S 3 at the atomic level. Taking into account the phonon energy shifts and the wave-like tunneling phonon channel, we predict an ultralow κ L of 0.42 w/mK at 300 K with an extremely weak temperature dependence following ∼T −0.33 . These findings agree well with experimental values along with the parallel to the Bridgman growth direction. The κ L in o-CsCu 5 S 3 is suppressed down to the amorphous limit, primarily due to the unconventional Cu−S bonding induced by the p−d hybridization antibonding state coupled with the stochastic oscillation of Cs atoms. The nonstandard temperature dependence of κ L can be traced back to the critical or dominant role of wave-like tunneling of phonon contributions in thermal transport. Moreover, the p−d hybridization of Cu(3)−S bonding results in the formation of a valence band with "pudding-mold" and high-degeneracy valleys, ensuring highly efficient electron transport characteristics. By properly adjusting the carrier concentration, excellent thermoelectric performance is achieved with a maximum thermoelectric conversion efficiency of 18.4% observed at 800 K in p-type o-CsCu 5 S 3 . Our work not only elucidates the anomalous electronic and thermal transport behavior in the copper-based chalcogenide o-CsCu 5 S 3 but also provides insights for manipulating its thermal and electronic properties for potential thermoelectric applications.

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“…Currently, several methods have been employed to regulate κ l in 2D materials, including the application of magnetic fields, electric fields, strains, , and cluster replacements, , yielding notable progress. However, these approaches have certain limitations.…”

Section: Introductionmentioning

confidence: 99%

Thermal Transport Properties of Two-Dimensional Janus MoXSiN₂ (X = S, Se, and Te)

Gan,

Wei,

et al. 2024

Langmuir

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The design of Janus materials offers an effective means of regulating both their physical and chemical properties, leading to their application in various fields. However, the underlying mechanism governing the modulation of the thermal transport characteristics through the construction of Janus materials remains unclear. In this work, we introduce VI-group elements into the MoSi 2 N 4 structure, yielding two-dimensional Janus MoXSiN 2 (X = S, Se, and Te) and systematically investigate their thermal transport properties based on first-principles calculation methods. Our findings reveal that the lattice thermal conductivities (κ l ) of MoSSiN 2 , MoSeSiN 2 , and MoTeSiN 2 are 47.2, 24.3, and 40.6 W/mK at 300 K, respectively, significantly lower than that of MoSi 2 N 4 (224 W/mK). Such low κ l values mainly come from the introduction of X atoms, which enhances phonon scattering and reduces phonon vibration frequencies. In addition, MoTeSiN 2 exhibits a higher κ l compared to MoSeSiN 2 , contrary to the trend observed in most materials containing VI-group elements, where κ l decreases gradually from S to Te. This anomalous behavior can be attributed to the competitive result between its lower phonon vibrational frequency and weaker phonon anharmonicity of MoTeSiN 2 . This work elucidates the inherent mechanism governing the modulation of thermal transport properties in Janus materials, thereby enhancing the potential application of Janus MoXSiN 2 in engineering thermal management.

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Pressure-induced remarkable four-phonon interaction and enhanced thermoelectric conversion efficiency in CuInTe2

Cited by 6 publications

References 72 publications

Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu₅S₃

Thermal Transport Properties of Two-Dimensional Janus MoXSiN₂ (X = S, Se, and Te)

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Pressure-induced remarkable four-phonon interaction and enhanced thermoelectric conversion efficiency in CuInTe2

Cited by 6 publications

References 72 publications

Novel room-temperature full-Heusler thermoelectric material Li2TlSb

Novel room-temperature full-Heusler thermoelectric material Li2TlSb

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu5S3

Thermal Transport Properties of Two-Dimensional Janus MoXSiN2 (X = S, Se, and Te)

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Product

Resources

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Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Novel room-temperature full-Heusler thermoelectric material Li₂TlSb

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu₅S₃

Thermal Transport Properties of Two-Dimensional Janus MoXSiN₂ (X = S, Se, and Te)