相关论文: Optimized nanodevice fabrication using clean trans…
Carbon nanostructures are ideal substrates for functionalization with molecules, since they consist of a single atomic layer giving rise to an extraordinary sensitivity to changes in their surrounding. The functionalization opens a new…
Graphene is a fascinating material for exploring fundamental science questions as well as a potential building block for novel electronic applications. In order to realize the full potential of this material the fabrication techniques of…
We perform molecular dynamics simulations of an idealized polymer melt surrounding a nanoscopic filler particle to probe the effects of a filler on the local melt structure and dynamics. We show that the glass transition temperature $T_g$…
Gas separation using polymer membranes promises to dramatically drive down the energy, carbon, and water intensity of traditional thermally driven separation, but developing the membrane materials is challenging. Here, we demonstrate a…
The edge-functionalization of graphene nanoplatelets (GnP) was carried out exploiting diazonium chemistry, aiming at the synthesis of edge decorated nanoparticles to be used as building blocks in the preparation of engineered nanostructured…
Atomic-level structural changes in materials are important but challenging to study. Here, we demonstrate the dynamics and the possibility of manipulating a phosphorus dopant atom in graphene using scanning transmission electron microscopy…
Successful preparation of polymer nanocomposites, exploiting graphene-related materials, via melt mixing technology requires precise design, optimization and control of processing. In the present work, the effect of different processing…
Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au and Pt, while…
High-performance sealing materials that can guard key components against high pressure gases and liquid chemicals while withstanding mechanical deformation are of utmost importance in a number of industries. In this present work, graphene…
We use molecular dynamics simulation to study the exfoliation of graphene and fluorographene in molecular and ionic liquids, by performing computer experiments in which one layer of the 2D nanomaterial is peeled from a stack, in vacuum and…
Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…
Nonlinear optical processes rely on the intrinsically weak interactions between photons enabled by their coupling with matter. Unfortunately, many applications in nonlinear optics are severely hindered by the small response of conventional…
We introduce effective field theories for the electronic properties of graphene in terms of relativistic fermions propagating in 2+1 dimensions, and outline how strong inter-electron interactions may be modelled by numerical simulation of a…
Machine learning and optimization algorithms have been widely applied in the design and optimization for photonic devices. In this article, we briefly review recent progress of this field of research and show some data-driven applications…
In the case of polymer medical devices, the surface design plays a crucial role in contact with human tissue. The use of AgNPs as antibacterial agents is well known; however, their anchoring into the polymer surface can still be…
The role of graphene in mediating the exchange interaction is theoretically investigated when it is placed between two ferromagnetic dielectric materials. The calculation based on a tight-binding model illustrates that the magnetic…
The recent development of nanoscale fillers, such as carbon nanotube, graphene, and nanocellulose, allows the functionality of polymer nanocomposites to be controlled and enhanced. However, conventional synthesis methods of polymer…
The design and production of novel 2-dimensional materials has seen great progress in the last decade, prompting further exploration of the chemistry of such materials. Doping and hydrogenating graphene is an experimentally realised method…
Nanopapers based on graphene and related materials were recently proposed for application in heat spreader applications. To overcome typical limitations in brittleness of such materials, this work addressed the combination of graphite…
The effect of graphene flakes on the strength of Ni-graphene composites is investigated using molecular dynamics simulation. Rather than introducing flakes as flat structures into the Ni matrix, as it is common in available studies, we…