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Predicting lattice thermal conductivity from fundamental material properties using machine learning techniques
High-throughput screening and material informatics have shown a great power in the
discovery of novel materials, including batteries, high entropy alloys, and photocatalysts …
discovery of novel materials, including batteries, high entropy alloys, and photocatalysts …
First-principles study of electronic, optical and thermal transport properties of group III–VI monolayer MX (M= Ga, In; X= S, Se)
Two-dimensional (2D) GaS, GaSe, and InSe were reported to be semiconductors and have
been recently fabricated with potential applications in photoelectrics, where in-depth …
been recently fabricated with potential applications in photoelectrics, where in-depth …
[HTML][HTML] The origin of anomalous mass-dependence of thermal conductivity in Janus XBAlY (X= Se, S, Te; Y= S, Se, O; X≠ Y) monolayers
G Yuan, Y Ouyang, R Tan, Y Yao, Y Zeng… - Journal of Applied …, 2024 - pubs.aip.org
Owing to the unique asymmetric geometry, Janus monolayer compounds exhibit various
exotic thermal properties and have promising applications in thermal management. In this …
exotic thermal properties and have promising applications in thermal management. In this …
Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS 2
Thermal transport characteristics of monolayer trigonal prismatic tantalum disulfide (2H-
TaS2) are investigated using first-principles calculations combined with the Boltzmann …
TaS2) are investigated using first-principles calculations combined with the Boltzmann …
Thermal Transport Properties of Two-Dimensional Janus MoXSiN2 (X = S, Se, and Te)
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 …
chemical properties, leading to their application in various fields. However, the underlying …
[HTML][HTML] Thermoelectric transport properties in Janus Rashba semiconductors of monolayer Si2AsSb and Si2SbBi
Q **a, Z Xu, L Zhang, G Gao - Journal of Applied Physics, 2024 - pubs.aip.org
2D Janus Rashba semiconductors, which break both the mirror symmetry in the crystal
structure and the spin degeneracy in the energy band, provide a promising platform to …
structure and the spin degeneracy in the energy band, provide a promising platform to …
Abnormal enhancement of thermal conductivity by planar structure: A comparative study of graphene-like materials
The traditional knowledge that the lone-pair electrons lead to low thermal conductivity
provides important clues for the prediction of thermal conductivity and fundamental …
provides important clues for the prediction of thermal conductivity and fundamental …
Lattice thermal transport in monolayer group 13 monochalcogenides MX (M= Ga, In; X= S, Se, Te): Interplay of atomic mass, harmonicity, and lone-pair-induced …
We perform a systematic study of the lattice dynamics and the lattice thermal conductivity, κ,
of monolayer group 13 monochalcogenides MX (M= Ga, In; X= S, Se, Te) by combining an …
of monolayer group 13 monochalcogenides MX (M= Ga, In; X= S, Se, Te) by combining an …
Lone-pair electron-induced low lattice thermal conductivity and excellent thermoelectric performance of AuX (X= S, Se, Te) monolayers
L Liu, X Zhou, H Luo, ZG Li, HZ Guo, H Liang - Journal of Alloys and …, 2024 - Elsevier
We present a detailed study on the phonon thermal transport and thermoelectric (TE)
properties of gold monochalcogenide AuX (X= S, Se, Te) monolayers via first-principles …
properties of gold monochalcogenide AuX (X= S, Se, Te) monolayers via first-principles …
Ultralow thermal conductivity of turbostratically disordered MoSe2 ultra-thin films and implications for heterostructures
Abstract Films containing 8, 16, 24, 32 and 64 MoSe 2 layers were synthesized using the
modulated elemental reactants method. X-ray reflectivity patterns showed that the annealed …
modulated elemental reactants method. X-ray reflectivity patterns showed that the annealed …