Related papers: Young's modulus of Graphene: a molecular dynamics …
The out-of-plane fluctuations of carbon atoms in a graphene sheet have been studied by means of classical molecular dynamic simulations with an empirical force-field as a function of temperature. The Fourier analysis of the out-of-plane…
Graphene is one of the most researched two dimensional (2D) material due to its unique combination of mechanical, thermal and electrical properties. Special 2D structure of graphene enables it to exhibit a wide range of peculiar material…
Porous graphene (PG) is a graphene derivative endowed of nanoporous architectures. This material possesses a particular structure with interconnected networks of high pore volume, producing membranes with a large surface area. Experiments…
The temperature dependence of the mobility in suspended graphene samples is investigated. In clean samples, flexural phonons become the leading scattering mechanism at temperature $T \gtrsim 10\,\,$K, and the resistivity increases…
We statistically reconstruct a three-dimensional model of a tungsten-silver composite from an experimental two-dimensional image. The effective Young's modulus ($E$) of the model is computed in the temperature range 25-1060^o C using a…
Thermal properties of suspended single-layer graphene membranes are investigated by characterization of their mechanical motion in response to a high-frequency modulated laser. A characteristic delay time $\tau$ between the optical…
Ultrafast electron-phonon relaxation dynamics in graphene hides many distinct phenomena, such as hot phonon generation, dynamical Kohn anomalies, and phonon decoupling, yet still remains largely unexplored. Here, we unravel intricate…
Graphene is a novel two-dimensional material with fascinating electrodynamic properties like the ability to support collective electron oscillations (plasmons) accompanied by tight confinement of electromagnetic fields. Our goal is to…
The topological effect on thermal conductivity is investigated through the comparison among graphene nanoribbons, carbon nanotubes and the Mobius-like graphene strips (MGS), by molecular dynamics simulation. It is found that the thermal…
Graphene opens up for novel optoelectronic applications thanks to its high carrier mobility, ultra-large absorption bandwidth, and extremely fast material response. In particular, the opportunity to control optoelectronic properties through…
Using density functional theory combined with quasi-harmonic approximation, we investigate the thermal expansion behaviors of three different types ({\alpha}, {\beta}, and {\gamma}) of graphyne which is a two-dimensional carbon allotrope…
The interplay between different types of disorder and electron-electron interactions in graphene planes is studied by means of Renormalization Group techniques. The low temperature properties of the system are determined by fixed points…
We present the results of molecular dynamics (MD) studies of hexane physisorbed onto graphite for eight coverages in the range $0.875 \le \rho \le 1.05$ (in units of monolayers). At low temperatures the adsorbate molecules form a uniaxially…
The optical, elastic anisotropic and thermodynamic properties of TiN in the NaCl (B1) structure are analyzed in detail in the temperature range from 0 to 2000 K and the pressure range from 0 to 20 GPa. From the calculated dielectric…
Isotopic effects are relevant to understand several properties of solids, and have been thoroughly analyzed along the years. These effects may depend on the dimensionality of the considered solid. Here we assess their magnitude for…
In this file, we apply the nonequilibrium Green's function method to calculate the coefficient of thermal expansion (CTE) in multiple layers of graphene. We focus on the effect from different layer number $N$. Our main prediction is that:…
The structure of a physisorbed sub-monolayer of 1,2-bis(4-pyridyl)ethylene (bpe) on epitaxial graphene is investigated by Low-Energy Electron Diffraction and Scanning Tunneling Microscopy. Additionally, non-equilibrium heat-transfer between…
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…
The self-retracting motion of a graphene flake on a stack of graphene flakes is studied using molecular dynamics simulations. It is shown that in the case when the extended flake is initially rotated to an incommensurate state, there is no…
We show that plasmons in two-dimensional graphene can have net gain at terahertz frequencies. The coupling of the plasmons to interband electron-hole transitions in population inverted graphene layers can lead to plasmon amplification…