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The interaction between cracks, as well as their propagation, in single-crystal aluminum is investigated at the atomic scale using the molecular dynamics method and the modified embedded atom method. The results demonstrated that the crack…
Nobel metals that are deposited on a polymer surface exhibit surface diffusion and diffusion into the bulk. At the same time the metal atoms tend to form clusters because their cohesive energy is about two orders of magnitude higher than…
Although plasmon modes exist in doped graphene, the limited range of doping achieved by gating restricts the plasmon frequencies to a range that does not include visible and infrared. Here we show, through the use of first-principles…
The propagation of a surface plasmon-polariton along a stack of doped graphene sheets is considered. This auxiliary problem is used to discuss: (i) the scattering of such a mode at an interface between the stack and the vacuum; (ii) the…
To elucidate the atomistic diffusion mechanism responsible for the rapid diffusion in alkali halide nano particles, called Spontaneous Mixing, we execute molecular dynamics simulations with empirical models for KCl-KBr, NaCl-NaBr, RbCl-RbBr…
The fragmentation of liquid sheets produces a collection of droplets. The size distribution of the droplets has a considerable impact on the coating efficiency of sprays and the transport of contaminants. Although many processes commonly…
Band gap engineering in graphene may open the routes towards transistor devices in which electric current can be switched off and on at will. One may, however, ask if a semiconducting band gap alone is sufficient to quench the current in…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
The sliding of three-dimensional clusters and two-dimensional islands adsorbed on crystal surfaces represent an important test case to understand friction. Even for the same material, monoatomic islands and thick clusters will not as a rule…
Implantation and subsequent behaviour of heavy noble gases (Ar, Kr, Xe) in few-layer graphene sheets and in nanodiamonds is studied both using computational methods and experimentally using X-ray absorption spectroscopy. X-ray absorption…
Recent intensive research on two-dimensional materials (2DMs) rekindle the interest in the intercalation of various atoms and molecules into layered compounds as a tool to manufacture 2DMs and tune their optoelectronic, magnetic and…
We study the electromagnetic properties of a metamaterial consisting of polarizable (nano)particles and a single graphene sheet placed at the interface between two dielectrics. We show that the particle's polarizability is renormalized…
Both the dispersion state of nanoparticles (NPs) within polymer nanocomposites (PNCs) and the dynamical state of the polymer altered by the presence of the NP/polymer interfaces have a strong impact on the macroscopic properties of PNCs. In…
By using Fourier-transform scanning tunneling spectroscopy we measure the interference patterns produced by the impurity scattering of confined Dirac quasiparticles in epitaxial graphene nanoflakes. Upon comparison of the experimental…
Li metal has been deposited on the surface of a Ru(0001) single crystal containing patches of monolayer-thick epitaxial graphene islands. The use of low-energy electron microscopy and diffraction allowed us to {\em in situ} monitor the…
Clustering and dynamics of nano-sized particles (nano dust) is investigated using high-resolution ($1024^3$) simulations of compressible isothermal hydrodynamic turbulence, intended to mimic the conditions inside cold molecular clouds in…
Nano-rippled graphene, a structurally modified graphene, presents a novel material with a large range of possible applications including sensors, electrodes, coatings, optoelectronics, spintronics and straintronics. In this work we have…
The structure of a single layer of graphene on Ru(0001) has been studied using surface x-ray diffraction. A surprising superstructure has been determined, whereby 25 x 25 graphene unit cells lie on 23 x 23 unit cells of Ru. Each supercell…
The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport…
We study localized plasmons at the nanoscale (nano-plasmons) in graphene. The collective excitations of induced charge density modulations in graphene are drastically changed in the vicinity of a single impurity compared to graphene's bulk…