Related papers: A simple function for calculating the interaction …
Repulsion of nanoparticles, molecules and atoms from surfaces can have important applications in nanomechanical devices, microfluidics, optical manipulation and atom optics. Here, through the solution of a classical scattering problem, we…
The generalized self-consistent field method is used to describe intraband relaxation processes in a general multiband electronic system with presumably weak residual electron-electron interactions. The resulting memory-function…
We investigate the melting phenomena of pristine, free-standing infinite and finite size graphene sheets via molecular dynamics simulation using AIREBO potential as implemented in the LAMMPS package. In our simulations, the temperature of…
Among the many interesting features displayed by graphene, one of the most attractive is the simplicity with which its electronic structure can be described. The study of its physical properties is significantly simplified by the linear…
We studied the interaction between a single hydrogen atom and a single graphene using classical molecular dynamics simulation with modified Brenner REBO potential. Three interactions, which are adsorption, reflection, penetration, were…
A subcell technique for calculation of optical properties of graphene with the finite-difference time-domain (FDTD) method is presented. The technique takes into account the surface conductivity of graphene which allows the correct…
We propose the use of the Dirac-Born-Infeld action in the phenomenological description of graphene sheet dynamics and interactions. Both the electronic properties of the Dirac fermions and the overall dynamics can be incorporated into this…
The unique anisotropic properties of graphene, particularly impermeability, have made it a promising candidate for further advances in corrosion prevention applications. Despite the large number of experimental works divulging the use of…
Graphene membrane irradiated by weak activating periodic electric field in terahertz range is considered. The corrected formula for the graphene quantum conductivity is found. The obtained formula gives complex conjugate results when…
We have calculated the plasmon modes in graphene double layer structures at finite temperatures, taking into account the inhomogeneity of the dielectric background of the system. The effective dielectric function is obtained from the…
We theoretically study various aspects of the electron-surface optical phonon interaction effects in graphene on a substrate made of polar materials. We calculate the electron self-energy in the presence of the surface phonon-mediated…
Direct growth of flat micrometer-sized bilayer graphene islands in between molybdenum disulfide sheets is achieved by chemical vapor deposition of ethylene at about 800 {\deg}C. The temperature assisted decomposition of ethylene takes place…
The interaction between doped graphene nanoislands connected by narrow junctions constitutes an ideal testbed to probe quantum effects in plasmonic systems. Here, the interaction between graphene plasmons in neighboring nanoislands is…
The possibility to construct and parametrize the nonbonded interactions in atomistic force fields based on the valence electron structure of molecules is explored in this paper. Three different charge distribution models using simple…
Solution-processed few-layers graphene flakes, dispensed to rotating and sliding contacts via liquid dispersions, are gaining increasing attention as friction modifiers to achieve low friction and wear at technologically-relevant…
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to…
We present a method based on graph theory for evaluation of the inelastic propensity rules for molecules exhibiting complete destructive quantum interference in their elastic transmission. The method uses an extended adjacency matrix…
One of the many remarkable properties of graphene is that in the low energy limit the dynamics of its electrons can be effectively described by the massless Dirac equation. This has prompted investigations of graphene based on the lattice…
In this paper we demonstrate the direct evidence of solitons in graphene by means of molecular dynamics simulations and mathematical analysis. It shows various solitons emerge in the graphene flakes with two different chiralities by cooling…