Related papers: Harvesting and storing laser energy with graphene-…
In this work, we investigate the hydrogen-storage properties of Zr-decorated $\gamma$-graphyne monolayer employing Density Functional Theory (DFT) for green energy storage. We predict that each Zr atom decorated on graphyne sheet (2D) can…
The detailed study of the graphene (gr) moir\'e superlattices emerging due to the mismatch between the substrate's and gr-overlayer crystal lattices is inevitable because of its high technological relevance. However, little is known about…
Coulomb coupling between proximal layers in graphene heterostructures results in efficient energy transfer between the layers. We predict that, in the presence of correlated density inhomogeneities in the layers, vertical energy transfer…
The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most…
Graphene is an ideal material for optoelectronic applications. Its photonic properties give several advantages and complementarities over Si photonics. For example, graphene enables both electro-absorption and electro-refraction modulation…
Density functional theory (DFT) and thermal DFT (thDFT) calculations were used to evaluate the energy band structure, bandgap, and the total energy of various graphene quantum dots (GQDs). The DFT calculations were performed using local…
Graphene has emerged as a promising material for integration into silicon photonics, owing to its ultrafast and broadband photoresponse without the need for an external bias voltage. This photoresponse relies on the photo-thermoelectric…
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by the second-order perturbation theory. The local structure…
We introduce a novel fusion scheme enabled by laser-plasma solitons, which promises to overcome several fundamental obstructions to reaching the breakeven condition. For concreteness, we invoke deuterium-tritium (DT) as fuels. The intense…
Graphene is a one-atom-thick sheet of carbon atoms arranged in a honeycomb lattice. It was first obtained by exfoliation of graphite in 2004 and has since evolved into a thriving research topic because of its attractive mechanical, thermal,…
Saturable absorption is a non-perturbative nonlinear optical phenomenon that plays a pivotal role in the generation of ultrafast light pulses. Here we show that this effect emerges in graphene at unprecedentedly low light intensities, thus…
The $\pi$-electronic structure of graphene in the presence of a modulated electric potential is investigated by the tight-binding model. The low-energy electronic properties are strongly affected by the period and field strength. Such a…
We argue, for a wide class of systems including graphene, that in the low temperature, high density, large separation and strong screening limits the drag resistivity behaves as d^{-4}, where d is the separation between the two layers. The…
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…
We report on spectroscopy results from the mid- to far-infrared on wafer-scale graphene, grown either epitaxially on silicon carbide, or by chemical vapor deposition. The free carrier absorption (Drude peak) is simultaneously obtained with…
Optical properties of graphene are explored by using the generalized tight-binding model. The main features of spectral structures, the form, frequency, number and intensity, are greatly enriched by the complex relationship among the…
The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…
Transport measurements have revealed several exotic electronic properties of graphene. The possibility to influence the electronic structure and hence control the conductivity by adsorption or doping with adatoms is crucial in view of…
We report on the response of graphene to high intensity mid-IR radiation and show that graphene exhibits saturable absorption and significant two-photon absorption in the spectral region from 1.55 $\mu$m to 3.50 $\mu$m (0.35 eV to 0.80 eV).…
We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of…