Related papers: First principles study of the graphene/Ru(0001) in…
Metallenes are atomically thin, nonlayered two-dimensional materials. While they have appealing properties, their isotropic metallic bonding makes their stabilization difficult and presents considerable challenges to their synthesis and…
First-principles DFT levels of calculations have been carried out in order to study the structural stability and electronic properties of hydrogen passivated graphene (H-graphene) clusters. Two different shaped clusters, rectangular and…
As mechanical structures enter the nanoscale regime, the influence of van der Waals forces increases. Graphene is attractive for nanomechanical systems because its Young's modulus and strength are both intrinsically high, but the mechanical…
We formulate a nonlinear continuum model of a graphene sheet supported by a flat rigid substrate. The sheet is parallel to the substrate and loaded on a pair of opposite edges. A typical cross-section of the sheet is modeled as an elastica.…
A blueprint for producing scalable digital graphene electronics has remained elusive. Current methods to produce semiconducting-metallic graphene networks all suffer from either stringent lithographic demands that prevent reproducibility,…
We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…
Graphene on SiC intercalated with two-dimensional metal layers, such as Pt, offers a versatile platform for applications in spintronics, catalysis, and beyond. Recent studies have demonstrated that Pt atoms can intercalate at the…
Two-dimensional (2D) magnetic materials integrated with graphene offer a compelling platform for next-generation spintronic devices, yet nickel in its 2D form remains largely unexplored, due to fundamental synthesis limitations. Here, we…
Poor quality interfaces between metal and graphene cause non-linearity and impair the carrier mobility in graphene devices. Here, we use aberration corrected scanning transmission electron microscopy to observe hexagonally close-packed Ti…
Thermal decomposition of vicinal 6H-SiC(0001) surfaces with off-angles toward the $[1\bar{1}00]$ direction results in the appearance of pairs of (0001) macroterraces and $(1\bar{1}0n)$ macrofacets covered with graphene, as follows. A…
We have performed an ab initio investigation of the electronic properties of the graphene sheet adsorbed by Ru adatoms (Ru/graphene). For a particular set of triangular arrays of Ru adatoms, we find the formation of four (spin-polarized)…
We use density functional theory based first-principles method to investigate the bandstructure and phase stability in the laterally grown hexagonal C$_x$(BN)$_{1-x}$, two-dimensional Graphene and $h$-BN hybrid nanomaterials, which were…
The interfacial abruptness and uniformity in heterostructures are critical to control their electronic and optical properties. With this perspective, this work demonstrates the 3-D atomistic-level mapping of the roughness and uniformity of…
Graphene is a sturdy and chemically inert material exhibiting an exposed two-dimensional electron gas of high mobility. These combined properties enable the design of graphene composites either based on covalent or non- covalent coupling of…
With the help of the quantum chemistry methods we have investigated the nature of interlayer interactions between graphene fragments in different stacking arrangements (AA and AB). We found that the AB stacking pattern as the ground state…
Accumulative Roll Bonding(ARB) process was used to develop few-layer graphene nano platelets reinforced aluminum matrix (GNPs/Al) composite in the form of sheets. Annealed Al sheets were ARB processed up to 6 pass along with coating of…
We study the mechanism of wrinkling of suspended graphene, by means of atomistic simulations. We argue that the structural instability under edge compression is the essential physical reason for the formation of periodic ripples in…
We investigate the organized formation of strain, ripples and suspended features in macroscopic CVD-prepared graphene sheets transferred onto a corrugated substrate made of an ordered arrays of silica pillars of variable geometries.…
The interaction between gaseous uranium dicarbide and graphite is significant for the safety control and design of Gen-IV nuclear energy system. In this article, the interaction mechanism has been studied using a simplified model of…
Graphene holds promises for exploring exotic superconductivity with Dirac-like fermions. Making graphene a superconductor at large scales is however a long-lasting challenge. A possible solution relies on epitaxially-grown graphene, using a…