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The thermal conductivities of pristine and defective tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2 increases dramatically with size below a characteristic with…
Besides its predicted promising high electron mobilities at room temperature, PtSe2 bandgap sensitively depends on the number of monolayers combined by van der Waals interaction according to our calculations. We understand this by using…
The surface of three-dimensional materials provides an ideal and versatile platform to explore quantum-confined physics. Here, we systematically investigate the electronic structure of Na-intercalated CrTe2, a van der Waals antiferromagnet,…
Atomically thin 2-dimensional (2D) mechanical resonators are expected to be highly sensitive force sensor and high performance nano-electro-mechanical systems because of their excellent electrical and mechanical properties. For practical…
The electronic, phonon and thermoelectric transport properties of (PbTe)2 layer are systematically investigated by using first-principles pseudopotential method and Boltzmann transport equation. Our calculations demonstrate that there is a…
Atomically thin vanadium diselenide (VSe2 ) is a two-dimensional transition metal dichalcogenide exhibiting attractive properties due to its metallic 1T-phase. With the recent development of methods to manufacture high-quality monolayer VSe…
The structural stability, electronic structure, and thermal transport properties of one to six quintuple layers (QLs) of Bi2Se3 are investigated by van der Waals density functional theory and semi-classical Boltzmann theory. The bandgap…
The integration of 2D materials with artificially textured substrates offers exceptional opportunities for engineering novel functional devices. A straightforward technological route towards such devices is a mechanical dry or wet transfer…
Van der Waals (vdW) layered materials have gained significant attention owing to their distinctive structure and unique properties. The weak interlayer bonding in vdW layered materials enables guest atom intercalation, allowing precise…
The correlated couple of electrical and thermal property is the challenge to realize a substantial leap in thermoelectric materials.Synthesis of semiconductor and metal composites is a significant and versatile design strategy to optimize…
Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have recently attracted tremendous interest as potential valleytronic and nano-electronic materials, in addition to being well-known as excellent lubricants in the bulk.…
For the past few years, 2D ferroelectric materials have attracted strong interest for their potential in future nanoelectronics devices. The recent discovery of 2D ferroelectricity in twisted layers of insulating hexagonal boron nitride,…
Artificially engineered 2D materials offer unique physical properties for thermal management, surpassing naturally occurring materials. Here, using van der Waals epitaxy, we demonstrate the ability to engineer extremely insulating…
Varying the thermal boundary conductance at metal-dielectric interfaces is of great importance for highly integrated electronic structures such as electronic, thermoelectric and plasmonic devices where heat dissipation is dominated by…
The introduction of 'twist' or relative rotation between two atomically thin van der Waals (vdW) membranes gives rise to periodic Moire potential, leading to a substantial altercation of the band structure of the planar assembly. While most…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
Thermal transport in high-electron-mobility-transistor (HEMT) structures grown on 4H-SiC substrates by metalorganic-vapour-phase epitaxy (MOCVD) is systematically investigated. The thermal conductivity of the GaN channel and AlN buffer…
The ability to exfoliate layered materials down to the single layer limit has opened the opportunity to understand how a gradual reduction in dimensionality affects the properties of bulk materials. Here we use this top-down approach to…
We study the thermoelectric properties of bulk $MoSe_2$ within relaxation time approximation including electron-phonon and ionized impurity interactions using first-principles calculations at room temperatures. The anisotropy of this…
Angle-resolved photoemission spectroscopy is employed to study the electronic structure of bulk TiSe2 before and after doping with potassium impurities. A splitting in the conduction band into two branches is observed after room-temperature…