Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe<sub>2</sub>

Cui, Xiangyue; Yan, Hejin; Yan, Xuefei; Zhou, Kun; Cai, Yongqing

doi:10.1021/acsnano.3c01229

ACS Nano

2023

DOI: 10.1021/acsnano.3c01229

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Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe₂

Xiangyue Cui,

Hejin Yan,

Xuefei Yan

et al.

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2024

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Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers

Abbasi,

Havenith,

Rashid

2024

ACS Appl. Energy Mater.

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The lattice dynamics and thermoelectric properties of monolayers of LiAlTe 2 , LiGaTe 2 , and LiInTe 2 are comprehensively investigated by using density functional theory calculations combined with the solution of the Boltzmann transport equation. At 300 K, the intrinsic lattice thermal conductivity is determined to be 10.41, 6.02, and 5.77 W/(m•K) for LiAlTe 2 , LiGaTe 2 , and LiInTe 2 , respectively, when spin−orbit coupling effects are included in the harmonic force constants. These thermal conductivity values are attributed to the combination of low acoustic frequencies and enhanced anharmonic phonon scattering rates. Further analysis reveals that thermal transport in these monolayers is dominated by in-plane longitudinal acoustic modes. These monolayers are direct band gap semiconductors with high electrical conductivity and Seebeck coefficients. The synergistic effect leads to a notably high power factor, which is especially evident in LiInTe 2 monolayers, ultimately resulting in a ZT value of 0.8 at 700 K.

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Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers

Abbasi,

Havenith,

Rashid

2024

ACS Appl. Energy Mater.

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Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe₂

Cited by 1 publication

References 54 publications

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers

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Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe2

Cited by 1 publication

References 54 publications

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe2, LiGaTe2, and LiInTe2 Monolayers

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe2, LiGaTe2, and LiInTe2 Monolayers

Contact Info

Product

Resources

About

Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe₂

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers

Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe₂, LiGaTe₂, and LiInTe₂ Monolayers