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Atomically thin monolayers of graphene show excellent electronic properties which have led to a great deal of research on their use in nanoscale devices. However, heat management of such nanoscale devices is essential in order to improve…
Two-dimensional (2D) materials with large band gaps and strong and tunable second-harmonic generation (SHG) coefficients play an important role in the miniaturization of deep-ultraviolet (DUV) nonlinear optical (NLO) devices. Despite the…
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…
The electronic and thermal transport properties have been systematically investigated in monolayer C$_4$N$_3$H with first-principles calculations. The intrinsic thermal conductivity of monolayer C$_4$N$_3$H was calculated coupling with…
We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…
Heat transfer in nanocomposite materials has attracted great interest for various applications. Multilayer structures provide an important platform to study interfacial thermal transport and to engineer materials with ultralow thermal…
Most recently, boron-graphdiyne, a {\pi}-conjugated two-dimensional (2D) structure made from merely sp carbon skeleton connected with boron atoms was successfully experimentally realized through a bottom-to-up synthetic strategy. Motivated…
Graphene foams have recently attracted a great deal of interest for their possible use in technological applications, such as electrochemical storage devices, wearable electronics, and chemical sensing. In this work, we present…
In this work, we demonstrate that edge-oxidation of graphene can enable larger enhancement in thermal conductivity (k) of graphene-nanoplatelet (GnP)/polyetherimide (PEI) composites relative to oxidation of the basal plane of graphene. Edge…
Enhancement of thermal conductivity via surface electromagnetic waves (SEWs) supported in nanostructures has recently drawn attention as a remedy for issues raised due to the reduction of thermal conductivity in nanoscale confinement. Among…
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…
We report measurement of room-temperature compressibility, thermal expansion, thermoelectric power a(T) at various pressures P < 20 kbar, basal-plane resistivity rab (T), magnetic susceptibility and thermal conductivity k(T) taken on…
Metal-ion batteries (MIBs) are essential for transitioning to a cleaner and more sustainable energy future. By employing the density functional formalism, we have investigated the hexagonal (h) monolayer of BeS and BeTe as electrode…
We investigate the electronic, the thermal, and the optical properties of BN-codoped MgO monolayers taking into account the interaction effects between the B and the N dopant atoms. The relatively wide indirect band gap of a pure MgO…
Since the dramatic interface enhancement of superconducting transition temperature (Tc) was reported in one unit-cell FeSe film grown on SrTiO3 substrate (1-UC FeSe/STO) by molecular beam epitaxy (MBE), related research on this system has…
Graphene oxide (GO) exhibits rich chemical heterogeneity that strongly influences its structural, thermal, and mechanical properties, yet quantitatively linking reduction chemistry to heat transport remains challenging. In this work, we…
Controlling thermal energy transfer at the nanoscale has become critically important in many applications and thermal properties since it often limits device performance. In this work, we study the effects on thermal conductivity arising…
Nanostructuring materials at small scales enables control over their physical properties, revealing behaviors not observed at larger dimensions. This strategy is particularly effective in two-dimensional (2D) materials, where surface…
Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived material with a C2N stoichiometry and evenly distributed holes and nitrogen atoms in its basal plane, has recently been synthesized. We performed first principles…
The electrical and thermal behavior of nanoscale devices based on two-dimensional (2D) materials is often limited by their contacts and interfaces. Here we report the temperature-dependent thermal boundary conductance (TBC) of monolayer…