Related papers: Graphene Growth on Copper Substrate by LAMMPS Simu…
We present the first large-scale molecular dynamics simulations of hexane on graphite that completely reproduces all experimental features of the melting transition. The canonical ensemble simulations required and used the most realistic…
A high temperature for some catalytic reactions like synthesis of large area and high quality graphene is required. The mentioned graphene can be obtained by a chemical vapour deposition (CVD) process on copper foil at 800 1000. Here, we…
Graphene growth by chemical vapor deposition has received a lot of attention recently owing to the ease with which large area films can be grown, but growth of large domain or equivalently large grain size has not been reported yet. In this…
We demonstrate rapid deterministic (seeded) growth of large single-crystals of graphene by chemical vapour deposition (CVD) utilising pre-patterned copper substrates with chromium nucleation sites. Arrays of graphene single-crystals as…
Chromium thin films deposited on silicon substrates by DC magnetron sputtering were systematically investigated as a function of film thickness, using a DC power of 50 W and a post-deposition annealing temperature of 200 C. Two types of…
Rhombohedral-stacked few-layer graphene (FLG) has been receiving an ever-increasing attention owing to its peculiar electronic properties that could lead to enticing phenomena such as superconductivity and magnetic ordering. Up to now,…
Epitaxial growth via chemical vapor deposition is considered to be the most promising way towards synthesizing large area graphene with high quality. However, it remains a big theoretical challenge to reveal growth kinetics with atomically…
This report introduces the electromagnetic absorption of the catalyst as a novel knob in optimizing chemical vapor deposition of graphene. A chromium film initially deposited at one side of a catalyst copper foil absorbs radiative thermal…
Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfuric acid. Preliminary results from dynamic Monte Carlo…
Fabrication of graphene devices is often hindered by incompatibility between the silicon technology and the methods of graphene growth. Exfoliation from graphite yields excellent films but is good mainly for research. Graphene grown on…
Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…
In crystal growth, surfactants are additive molecules used in dilute amount or as dense, permeable layers to control surface morphologies. Here, we investigate the properties of a strikingly different surfactant: a two-dimensional and…
Graphene is one of the stiffest known materials, with a Young's modulus of 1 TPa, making it an ideal candidate for use as a reinforcement in high-performance composites. However, being a one-atom thick crystalline material, graphene poses…
We demonstrate the high stability of simulated graphene hyperbolic pseudospheres under large externally imposed deformations and high temperature annealing. Hyperbolic pseudospheres are produced in a two-step Molecular Dynamics simulation…
The nucleation of graphene on a transition metal (TM) surface, either on a terrace or near a step edge, is systematically explored using density functional theory (DFT) calculations and applying the two-dimensional (2D) crystal nucleation…
The mechanical integrity of composite materials depends primarily on the interface strength and the defect density of the reinforcement which is the provider of enhanced strength and stiffness. In the case of graphene/ polymer…
Graphene/AlGaN/GaN heterostructures are proposed to investigate the drag and two-stream instability effects. In this study, graphene grown by chemical vapor deposition was transferred from copper onto the top of the standard AlGaN/GaN…
Graphene has been suggested as an ultimately thin functional coating for metallurgical alloys such as steels. However, even on pure iron (Fe), the parent phase of steels, growth of high quality graphene films remains largely elusive to…
We report results of a multiscale simulation study of multilayer structures consisting of graphene sheets with embedded Pt nanoparticles. Density functional theory is used to understand the energetics of Pt-graphene interfaces and provide…
We first demonstrate how two-dimensional sheets are incorporated in the formalism for planar structures. Then we derive the interaction in the geometry of two free-standing graphene sheets and of one graphene sheet above a substrate.…