Survey of ab initio phonon thermal transport
The coupling of lattice dynamics and phonon transport methodologies with density
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …
Thermal transport in 2D semiconductors—considerations for device applications
The discovery of graphene has stimulated the search for and investigations into other 2D
materials because of the rich physics and unusual properties exhibited by many of these …
materials because of the rich physics and unusual properties exhibited by many of these …
High-Temperature Thermoelectric Monolayer Bi2TeSe2 with High Power Factor and Ultralow Thermal Conductivity
Because of the quantum confinement effect and the interface/surface effect, the band gap of
0.8–1.5 eV for two-dimensional (2D) bismuth-based material is significantly enlarged …
0.8–1.5 eV for two-dimensional (2D) bismuth-based material is significantly enlarged …
Experimental identification of critical condition for drastically enhancing thermoelectric power factor of two-dimensional layered materials
Nanostructuring is an extremely promising path to high-performance thermoelectrics.
Favorable improvements in thermal conductivity are attainable in many material systems …
Favorable improvements in thermal conductivity are attainable in many material systems …
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 …
Hybrid functional calculations of electronic and thermoelectric properties of GaS, GaSe, and GaTe monolayers
Motivated by the recent success in the experimental synthesis of two-dimensional group-III
monochalcogenides, we investigate the structural, electronic and thermoelectric properties …
monochalcogenides, we investigate the structural, electronic and thermoelectric properties …
Structural and electronic properties of a van der Waals heterostructure based on silicene and gallium selenide: effect of strain and electric field
PTT Le, NN Hieu, LM Bui, HV Phuc, BD Hoi… - Physical Chemistry …, 2018 - pubs.rsc.org
Combining van der Waals heterostructures by stacking different two-dimensional materials
on top of each other layer-by-layer can enhance their desired properties and greatly extend …
on top of each other layer-by-layer can enhance their desired properties and greatly extend …
Phonon anharmonicity and thermal conductivity of two-dimensional van der Waals materials: A review
Abstract Two-dimensional (2D) van der Waals (vdW) materials have extraordinary thermal
properties due to the effect of quantum confinement, making them promising for …
properties due to the effect of quantum confinement, making them promising for …
Ultralow thermal conductivity and high thermoelectric performance of γ-GeSe: Effects of dimensionality and thickness
Two-dimensional chalcogenide-based materials of group 14 elements are predicted as
potential thermoelectric (TE) materials, though the figure of merit (ZT) obtained requires …
potential thermoelectric (TE) materials, though the figure of merit (ZT) obtained requires …
A computational study on strain dependent photocatalytic activity of Janus Ga-Al-X-Se (X= S and Se) monolayers
The use of photocatalytic two-dimensional material for water splitting emerges as a
significant technology in the field of green energy. Considering this viewpoint, the …
significant technology in the field of green energy. Considering this viewpoint, the …