相关论文: High thermal conductivity in semiconducting Janus …

In the 2016 experiment by Crossno et al. [Science 351, 1058 (2016)], electronic contribution to the thermal conductivity of graphene was found to violate the well-known Wiedemann-Franz (WF) law for metals. At liquid nitrogen temperatures,…

Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site…

Two-dimensional (2D) intrinsic ferromagnetic semiconductors are expected to stand out in the spintronic field. Recently, the monolayer VI$_{3}$ has been experimentally synthesized but the weak ferromagnetism and low Curie temperature…

Thermal conductivity measurements over variable lengths on nanostructures such as nanowires provide important information about the mean free paths (MFPs) of the phonons responsible for heat conduction. However, nearly all of these…

We study the lattice thermal conductivity of two-dimensional (2D) pentagonal systems, such as penta-silicene and penta-germanene. Penta-silicene has been recently reported, while the stable penta-germanene, belonging to the same group IV…

We present exemplary results of extensive studies of mechanical, electronic and transport properties of covalent functionalization of graphene monolayers (GML) with -NH2. We report new results of ab initio studies of covalent…

Phagraphene is a novel 2D carbon allotrope with interesting electronic properties which has been recently theoretically proposed. Phagraphene is similar to a defective graphene structure with an arrangement of pentagonal, heptagonal and…

We extract experimentally the electronic thermal conductivity, $K_{e}$, in suspended graphene which we dope using a back-gate electrode. We make use of two-point dc electron transport at low bias voltages and intermediate temperatures (50 -…

The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…

We investigate the nanoscale mechanisms determining lattice thermal conductivity (LTC) of pristine and W-doped MX$_2$-M$^\prime$X$^\prime_2$ transition metal dichalcogenide heterobilayers from first principles, using the exact solution of…

Certain layered transition metal dichalcogenides (TMDCs), such as 1T-TaS2, show a rich collection of charge density wave (CDW) phases at different temperatures, and their atomic structures and electron conductions have been widely studied.…

The intrinsic channel properties of monolayer and multilayer graphene were systematically investigated as a function of layer number by the exclusion of contact resistance using four-probe measurements. We show that the continuous change in…

Thermoelectric materials offer a promising route for efficient heat-to-power conversion. In search of materials functional at high and low operating temperatures, we investigate the thermoelectric properties of two-dimensional lead halide…

Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (C$_3$N) and boron-carbide (BC$_3$) exhibit exceptional physical properties. On this basis, we propose two novel graphene-like…

In analogy to transition-metal dichalcogenide (TMD) monolayers, which have wide applications in photoelectricity, piezoelectricity and thermoelectricity, Janus MoSSe monolayer has been successfully synthesized by substituting the top Se…

Superlattices are promising low-dimensional nanomaterials for thermoelectric technology that is capable of directly converting low-grade heat energy to useful electrical power. In this work, the thermal conductivities of GaAs/Ge…

Room-temperature ferromagnetic semiconductor is vital in nonvolatile digital circuits and it can provide an idea system where we can make use of both charge and spin of electrons. However, seeking room-temperature ferromagnetic…

Nearly two-dimensional diamond, or diamane, is coveted as ultrathin $sp^3$-carbon film with unique mechanics and electro-optics. The very thinness ($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to shift the bulk…

We have experimentally studied the nonlinear nature of electrical conduction in monolayer graphene devices on silica substrates. This nonlinearity manifests itself as a nonmonotonic dependence of the differential resistance on applied DC…

Mechanical stability of the ZnIn2X4 monolayers. The ZnIn2S4 and ZnIn2Se4 are semiconductors with direct band gaps of 3.94 and 2.77 eV, respectively whereas the ZnIn2Te4 shows an indirect band gap of 1.84 eV at the G0W0 level. The optical…