Related papers: Harvesting and storing laser energy with graphene-…
The development of flexible electronics operating at radio-frequencies (RF) requires materials that combine excellent electronic performance and the ability to withstand high levels of strain. In this work, we fabricate graphene…
First principles based DFT calculations performed to insight structural and electronic properties of Boron doped Magnesium atom decorated graphene sheet for application of hydrogen storage. The four H2 molecules stably binds magnesium atom…
We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene $\pi$ and copper d orbitals.…
Proximity effect is a very powerful approach and has been widely applied to induce electron correlations such as: superconductivity, magnetism and spin-orbit effects at the interface of heterostructure quantum materials. However, proximity…
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…
The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal correlation effects by means of vdW-DF approach. It is shown…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
Graphene functionalization by hydrogen and fluorine has been proposed as a route to modulate its reactivity and electronic properties. However, until now, proposed systems present degradation and limited hydrogen adsorption capacity. In…
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…
For carbon-based materials, in contrast to metal surfaces, the relationship between strain and reactivity is not yet established, even though there are literature reports on strained graphene. Knowledge of such relationships would be…
We demonstrate that the plasmon frequency and Drude weight of the electron liquid in a doped graphene sheet are strongly renormalized by electron-electron interactions even in the long-wavelength limit. This effect is not captured by the…
Monolayer graphene provides an ideal material to explore one of the fundamental light-field driven interference effects: Landau-Zener-St\"uckelberg interference. However, direct observation of the resulting interference patterns in momentum…
Graphene and related materials can lead to disruptive advances in next generation photonics and optoelectronics. The challenge is to devise growth, transfer and fabrication protocols providing high (>5,000 cm2 V-1 s-1) mobility devices with…
Graphene is believed to be an excellent candidate material for next-generation electronic devices. However, one needs to take into account the nontrivial effect of metal contacts in order to precisely control the charge injection and…
We demonstrate tunable solid state and flexible graphene field effect devices (FEDs) fabricated using a poly(methylmethacrylate) (PMMA) and lithium fluoride (LiF) composite dielectric. Increasing the concentration of LiF in the composite…
The electronic structure and structural evolution of hydrogenated graphene are investigated by Raman spectroscopy with multiple excitations. The excitation energy dependent saturation effect on the ratio of integrated intensities of D and G…
Graphene has been used recently as a replacement for indium tin oxide (ITO) for the transparent electrode of an organic photovoltaic device. Due to its limited supply, ITO is considered as a limiting factor for the commercialization of…
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of a copper/graphene/copper (Cu/G/Cu) interface models was…
First-principles density functional theory (DFT) is employed to investigate the interactions of CO2 gas molecules with pristine and lithium-functionalized germanene. It is discovered that although a single CO2 molecule is weakly physisorbed…
We perform a comprehensive analysis of the spectrum of graphene plasmons which arise when a pair of sheets are confined between conducting materials. The associated enhanced local fields may be employed in the manipulation of light on the…