Related papers: Molecular Dynamics Study of the Mechanical Behavio…
Recently, symmetry-broken ground states, such as correlated insulating states, magnetic order and superconductivity, have been discovered in twisted bilayer graphene (tBLG) and twisted trilayer graphene (tTLG) near the so-called…
Controlled wrinkling of single-layer graphene (1-LG) at nanometer scale was achieved by introducing monodisperse nanoparticles (NPs), with size comparable to the strain coherence length, underneath the 1-LG. Typical fingerprint of the…
In twisted bilayer graphene (TBG) a moir\'e pattern forms that introduces a new length scale to the material. At the 'magic' twist angle of 1.1{\deg}, this causes a flat band to form, yielding emergent properties such as correlated…
Twisted bilayer graphene (tBLG) has emerged as an exciting platform for novel condensed matter physics. However, electron-phonon ($e$-ph) interactions in tBLG and their effects on electronic transport are not completely understood. Here we…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
There is an increasing interest in the electronic properties of few layer graphene as it offers a platform to study electronic interactions because the dispersion of bands can be tuned with number and stacking of layers in combination with…
Graphene is the stiffest material known so far but, due to its one-atom thickness, it is also very bendable. Consequently, free-standing graphene exhibit ripples that has major effects on its elastic properties. Here we will summarize three…
In view of clean environment, the industry needs to address multiple demands at different levels of production and processes via the sustainable approach including recycling or smart use of produced waste. On the other hand, a development…
Magic-angle twisted bilayer graphene (TBG) with its flat bands provides a rich platform for exploring emergent electronic orders. Similarly, periodically buckled monolayer graphene has been proposed as a tunable alternative for realizing…
New interlayer intermolecular potential model was proposed and it represented ``ABAB'' staking of graphite. Hydrogen atom sputtering on graphite surface was investigated using molecular dynamics simulation. In the initial short time period,…
We analyze the effect of screening provided by the additional graphene layer in double layer graphene heterostructures (DLGs) on transport characteristics of DLG devices in the metallic regime. The effect of gate-tunable charge density in…
The most recent experimental advances could provide ways for the fabrication of several atomic thick and planar forms of boron atoms. For the first time, we explore the mechanical properties of five types of boron films with various vacancy…
We study the thermal effects on the frictional properties of atomically thin sheets. We simulate a simple model based on the Prandtl-Tomlinson model that reproduces the layer dependence of friction and strengthening effects seen in AFM…
Plasma enhanced chemical vapor deposition (PECVD) techniques have been shown to be an efficient method to achieve single-step synthesis of high-quality monolayer graphene (MLG) without the need of active heating. Here we report PECVD-growth…
The in-plane shear modes between neighbor-layers of 2-4 layer graphenes (LGs) and the corresponding graphene scrolls rolled up by 2-4LGs were investigated by Raman scattering. In contrast to that just one shear mode was observed in 3-4LGs,…
How atoms acquire three-dimensional bulk character is one of the fundamental questions in materials science. Before addressing this question, how atomic layers become a bulk crystal might give a hint to the answer. While atomically thin…
The coupling of mechanical deformation and electrical stimuli at the nanoscale has been a subject of intense investigation in the realm of materials science. Recently, twisted van der Waals (vdW) materials have emerged as a platform to…
Enhancement of the chemical activity of graphene is evidenced by first-principles modelling of chemisorption of the hydrogen, fluorine, oxygen and hydroxyl groups on strained graphene. For the case of negative strain or compression,…
In a multi-layer electronic system, stacking order provides a rarely-explored degree of freedom for tuning its electronic properties. Here we demonstrate the dramatically different transport properties in trilayer graphene (TLG) with…
Experiments performed by friction force microscopy at atomic-scale surface steps on graphite, MoS$_2$, and NaCl in ambient conditions are presented. Both step-down and step-up scans exhibit higher frictional forces at the edge, but…