相关论文: The Effect of Cluster Formation on Graphene Mobili…
Graphene adsorption on Au(111) surface was explored to identify their common surface structures by means of van der Waals corrected density functional theory calculations. The alignment of graphene in the form of certain rotational angles…
Graphene is a light material for long-distance spin transport due to its low spin-orbit coupling, which at the same time is the main drawback to exhibit a sizeable spin Hall effect. Decoration by light atoms has been predicted to enhance…
We have investigated the main scattering mechanisms affecting mobility in graphene nanoribbons using detailed atomistic simulations. We have considered carrier scattering due to acoustic and optical phonons, edge roughness, single defects,…
Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical properties of (AgAu)n (n=2-6) nanoalloys both as individual clusters and as clusters…
Based on the results of first-principles calculations we demonstrate that significant distortion of graphene sheets caused by adsorption of fluorine atoms leads to the formation of metastable patterns for which the next step of fluorination…
We study the Dirac equation for quasiparticles in gapped graphene with two oppositely charged impurities by using the technique of linear combination of atomic orbitals and variational Galerkin--Kantorovich method. We show that for…
Temperature dependencies for concentration and the Hall mobility of electrons for the $\textit{n}$-$\text{Ge} \langle \text{Sb}\rangle$ and \linebreak $\textit{n}$-$\text{Ge} \langle \text{Sb, Au}\rangle$ single crystals uniaxially deformed…
Graphene clusters consisting of 24 to 150 carbon atoms and hydrogen termination at the zigzag boundary edges have been studied, as well as clusters disordered by vacancy(s). Density Function Theory and Gaussian03 software were used to…
Formation of clusters of interlayer interstitial carbon atoms in graphite is studied by means of molecular dynamics simulation. It is shown that the deformation potential is attractive for interstitials located in one interlayer region and…
The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…
The main goal of our study was investigation of the influence of the deformations (sufficiently large for the establishing the non-zero gap) on electrotransport properties of impure graphene. To achieve this purpose, we implemented the…
The formation energies for mono- and bivacancies in graphene in the presence of adatoms of various metals and small metallic clusters have been calculated. It is shown that transition metal impurities, such as iron, nickel and, especially,…
This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene…
Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a…
We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless…
We study structural and electronic properties of graphene grown on SiC substrate using scanning tunneling microscope (STM), spot-profile-analysis low energy electron diffraction (SPA-LEED) and angle resolved photoemission spectroscopy…
We have systematically introduced charged impurity scatterers in the form of Mg adsorbates to exfoliated single layer graphene and observe little variation of the spin relaxation times despite pronounced changes in the charge transport…
A large measured 2D diffusion coefficient of gold nanoclusters on graphite has been known experimentally and theoretically for about a decade. When subjected to a lateral force, these clusters should slide with an amount of friction that…
Using density-functional calculations, we show that electron or hole doped graphene can strongly change the mobility of adsorbed atoms H and O. Interestingly, charge doping affects the diffusion of H and O in the opposite way, namely,…
We have achieved mobilities in excess of 200,000 cm^2/Vs at electron densities of ~2*10^11 cm^-2 by suspending single layer graphene. Suspension ~150 nm above a Si/SiO_2 gate electrode and electrical contacts to the graphene was achieved by…