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We have studied the thermal properties of bended graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The thermal conductivity of bended GNRs shows a non-monotonous relationship with the bending angle, due to the…
Research on two-dimensional materials has expanded over the past two decades to become a central theme in condensed matter research today. Significant advances have been made in the synthesis and subsequent reassembly of these materials…
A systematic analysis of defect textures in facetted nanoparticles with polygonal configurations embedded in a nematic matrix is performed using the Landau-de Gennes model, homeotropic strong anchoring in a square domain with uniform…
In this paper we propose a computational framework for the investigation of the correlated motion between positive and negative ions exposed to the attraction of a bubble surface that mimics the (oscillating) cell membrane. The correlated…
We investigate the microphase separation in a membrane composed of charged lipid, by taking into account explicitly the electrostatic potential and the ion densities in the surrounding solvent. While the overall (membrane and solvent)…
We present results of temperature dependent measurements of dynamics of micellar nanoparticle - polymer composites of fixed volume fraction and variable polymer chain grafting density. For nanoparticles with lower grafting density we…
The viscosity of Graphene nano-sheet suspensions (GNS)and its behavior with temperature and concentration have been experimentally determined. A physical mechanism for the enhanced viscosity over the base fluids has been proposed for the…
Physical adsorption of atoms, molecules and clusters on surface is known. It is linked to many phenomena in physics, chemistry, and biology. Usually the studies of adsorption are limited to the particle sizes of up to ~10^2-10^3 atoms.…
Self-organization of hydrogen bubbles generated by laser-treated areas of an aluminum plate etched in a basic aqueous solution of ammonia is studied experimentally and theoretically. A dynamics of establishment of stationary pattern of gas…
Compared to the study of graphene itself, the study of nano-structured graphene is rather limited because it is difficult to prepare atomically ordered edges. In this study, we have fabricated a periodically patterned mesh structure of…
Finding an effective and controllable way to create a sizable energy gap in graphene-based systems has been a challenging topic of intensive research. We propose that the hybrid of boron nitride and graphene (h-BNC) at low BN doping serves…
We report a comprehensive micro-Raman study of a pressurized suspended graphene membrane that hermetically seals a circular pit, etched in a Si/SiO$_2$ substrate. Placing the sample under a uniform pressure load results in bulging of the…
A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…
Grain boundaries (GBs) are ubiquitous in large-scale graphene samples, playing a crucial role in their overall performance. Due to their complexity, they are usually investigated as model structures, under the assumption of a fully relaxed…
Liquid suspensions of carbon nanotubes, graphene and transition metal dichalcogenides have exhibited excellent performance in optical limiting. However, the underlying mechanism has remained elusive and is generally ascribed to their…
Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J. et al.~\textit{Nature} \textbf{2018}, \textit{560}, 204]). These states may be localized either at the bulk edges, or at the ends of…
The effect of molecule size (excluded volume) and the range of interaction on the surface tension, phase diagram and nucleation properties of a model globular protein is investigated using a combinations of Monte Carlo simulations and…
We calculate density profiles of a simple model fluid in contact with a planar surface using density functional theory (DFT), in particular for the case where there is a vapour layer intruding between the wall and the bulk liquid. We apply…
We have developed a process to fabricate suspended graphene devices with local bottom gates, and tested it by realizing electrostatically controlled pn junctions on a suspended graphene mono-layer nearly 2 micrometers long. Measurements as…
Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an…