Related papers: Thermal stability study of nitrogen functionalitie…
We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the…
N-carbophenes are a class of two-dimensional covalent organic frameworks with potential for solid-state gas storage and as 2D topological materials. Previous studies have demonstrated that variations in their bonding, topology, and…
Graphene nanoplatelets (GnPs) are promising candidates for gas sensing applications because they have a high surface area to volume ratio, high conductivity, and a high temperature stability. Also, they cost less to synthesize, and they are…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with…
Structural as well as magnetization studies have been carried out on graphite samples irradiated by neutrons over 50 years in the CIRUS research reactor at Trombay. Neutron diffraction studies reveal that the defects in irradiated graphite…
Thermal rectification in thickness asymmetric graphene nanoribbons connecting single-layer with multi-layer graphene is investigated by using classical nonequilibrium molecular dynamics. It is reported that the graphene nanoribbons with…
Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal expansion coefficients, elastic constants and ultimate strength…
The integration of graphene (Gr) with nitride semiconductors is highly interesting for applications in high-power/high-frequency electronics and optoelectronics. In this work, we demonstrated the direct growth of Gr on Al0.5Ga0.5N/sapphire…
Fast and controllable cooling at nanoscales requires a combination of highly efficient passive cooling and active cooling. While passive cooling in graphene-based devices is quite effective due to graphene's extraordinary heat-conduction,…
In this work, we present a semi-analytical expression for the temperature dependence of a spin-resolved dynamical density-density response function of massless Dirac fermions within the Random Phase Approximation. This result is crucial in…
Self-heating is a severe problem for high-power GaN electronic and optoelectronic devices. Various thermal management solutions, e.g. flip-chip bonding or composite substrates have been attempted. However, temperature rise still limits…
Graphene is a quantum spin Hall insulator with a 45 $\mu$eV wide non-trivial topological gap induced by the intrinsic spin-orbit coupling. Even though this zero-field spin splitting is weak, it makes graphene an attractive candidate for…
In this paper, we study the thermal rectification in asymmetric U-shaped graphene flakes by using nonequilibrium molecular dynamics simulations. The graphene flakes are composed by a beam and two arms. It is found that the heat flux runs…
Graphene is a two-dimensional (2D) material with over 100-fold anisotropy of heat flow between the in-plane and out-of-plane directions. High in-plane thermal conductivity is due to covalent sp2 bonding between carbon atoms, whereas…
This study theoretically investigated the magnetic properties and electronic structure of a graphene-based nano-spin-valve-like structure. Magnetic nickel layers on both sides of the graphene were considered. A spin-polarized…
Thermal conductivity of homogeneous twisted stacks of graphite is found to strongly depend on the misfit angle. The underlying mechanism relies on the angle dependence of phonon-phonon couplings across the twisted interface. Excellent…
While doping and defects are often considered detrimental to material performance, at the nanoscale, modifications are needed to create novel properties beneficial for device applications. In this work, we focus on optimizing graphene as a…
Thermally conductive nanopapers fabricated from graphene and related materials are currently showing a great potential in thermal management applications. However, thermal contacts between conductive plates represent the bottleneck for…
We present experimental data and computational analysis of the formation of GaN nanowires on graphene virtual substrates. We show that GaN nanowires on graphene exhibit nitrogen polarity. We employ the DFT-based computational analysis to…
Graphene nanoribbons (GNRs) are atomically precise stripes of graphene with tunable electronic properties, making them promising for room-temperature switching applications like field-effect transistors (FETs). However, challenges persist…