相关论文: Reduced work function of graphene by metal adatoms
We study non-linear dc transport in graphene using a hydrodynamic approach and conclude that in clean samples the drift velocity saturates at a weakly density-dependent value v_{sat} ~ 10^7 cm/s. We show that saturation results from the…
We compare the two-dimensional (2D) plasmon dispersion relations for monolayer graphene when the sample is doped with carriers in the conduction band and the temperature $T$ is zero with the case when the temperature is finite and there is…
We present a density functional theory study of low density bromination of graphene and graphite, finding significantly different behaviour in these two materials. On graphene we find a new Br2 form where the molecule sits perpendicular to…
We investigate the many-body effects of a magnetic adatom in ferromagnetic graphene by using the numerical renormalization group method. The nontrivial band dispersion of ferromagnetic graphene gives rise to interesting Kondo physics…
The electronic transport properties of single layer graphene having a dilute coating of indium adatoms has been investigated. Our studies establish that isolated indium atoms donate electrons to graphene and become a source of charged…
While graphene is a semi-metal, a recently synthesized hydrogenated graphene called graphane, is an insulator. We have probed the transformation of graphene upon hydrogenation to graphane within the framework of density functional theory.…
Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…
We have performed scanning tunneling microscope (STM) and angle-resolved photoemission spectroscopy (ARPES) in Pb-deposited bilayer Graphene (BLG) on SiC(0001) substrate to investigate the dependence of the electronic structures on…
Functionalizing graphene was recently shown to have a dramatic effect on the electronic properties of this material. Here we investigate spatial ordering of adatoms driven by the RKKY-type interactions. In the ordered state, which arises…
To understand the band bending caused by metal contacts, we study the potential and charge density induced in graphene in response to contact with a metal strip. We find that the screening is weak by comparison with a normal metal as a…
We investigate the conductivity of doped graphene in the semiclassical Boltzmann limit, as well as the conductivity minimum within the self-consistent transport theory. Using the hard-disk model for a two-dimensional distribution of…
Graphene layers are stable, hard, and relatively inert. We study how tensile stress affects $\sigma$ and $\pi$ bonds and the resulting change in the chemical activity. Stress affects more strongly $\pi$ bonds that can become chemically…
The electronic properties of hydrogenated graphenes are investigated with the first-principles calculations. Geometric structures, energy bands, charge distributions, and density of states (DOS) strongly depend on the different…
In order to realize applications of hydrogen-adsorbed graphene, a main issue is how to control hydrogen adsorption/desorption at room temperature. In this study, we demonstrate the possibility to tune hydrogen adsorption on graphene by…
The understanding of the kinetic properties of hydrogen (isotopes) adatoms on graphene is important in many fields. The kinetic properties of hydrogen-isotope (H, D and T) monomers were simulated using a composite method consisting of…
We study the spectral function and quasiparticle scattering in Li-decorated graphene (Li@graphene) with an atomistic $T$-matrix formalism and uncover adatom-induced spectral effects which shed light on experimentally observed angle-resolved…
Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the…
We present a theoretical study of resonance characteristics in graphene from adatoms with $s$ or $p_z$ character binding in top, bridge, and hollow positions. The adatoms are described by two tight-binding parameters: onsite energy and…
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…
As a two-dimensional material with a hollow hexatomic ring structure, N\'eel-type anti-ferromagnetic (AFM) GdI3 can be used as a theoretical model to study the effect of electron doping. Based on first-principles calculations, we find that…