Predicting lattice thermal conductivity from fundamental material properties using machine learning techniques

G Qin, Y Wei, L Yu, J Xu, J Ojih… - Journal of Materials …, 2023 - pubs.rsc.org
High-throughput screening and material informatics have shown a great power in the
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)

H Wang, G Qin, J Yang, Z Qin, Y Yao… - Journal of Applied …, 2019 - pubs.aip.org
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 …

[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 …

Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS 2

Y Zhang, Z Tong, A Pecchia, CY Yam, T Dumitrică… - Nanoscale, 2022 - pubs.rsc.org
Thermal transport characteristics of monolayer trigonal prismatic tantalum disulfide (2H-
TaS2) are investigated using first-principles calculations combined with the Boltzmann …

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

S Gan, Q Wei, G He, J Li, X Chen, G Su, C Shen… - Langmuir, 2024 - ACS Publications
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 …

[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 …

Abnormal enhancement of thermal conductivity by planar structure: A comparative study of graphene-like materials

L Yu, Y Tian, X Zheng, H Wang, C Shen… - International Journal of …, 2022 - Elsevier
The traditional knowledge that the lone-pair electrons lead to low thermal conductivity
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 …

AS Nissimagoudar, Z Rashid, J Ma, W Li - Inorganic Chemistry, 2020 - ACS Publications
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 …

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 …

Ultralow thermal conductivity of turbostratically disordered MoSe2 ultra-thin films and implications for heterostructures

EC Hadland, H Jang, N Wolff, R Fischer… - …, 2019 - iopscience.iop.org
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 …