Related papers: Electrically Controlled Adsorption of Oxygen in Bi…
Monitoring electronic properties of 2D materials is an essential step to open a way for applications such as electronic devices and sensors. From this perspective, Bernal bilayer graphene (BLG) is a fairly simple system that offers great…
Unlike single layer graphene, in the case of $AB$-stacked bilayer graphene (BLG) one can induce a non-zero energy gap by breaking the inversion symmetry between the two layers using a perpendicular electric field. This is an essential…
We describe the electronic conductivity, as a function of the Fermi energy, in the Bernal bilayer graphene (BLG) in presence of a random distribution of vacancies that simulate resonant adsorbates. We compare it to monolayer (MLG) with the…
In this paper, we evaluate of the adsorption/ desorption of ammonia molecules on a graphene surface by studying the Fermi level shift. Based on a physically plausible model, the adsorption and desorption rates of ammonia molecules on…
The electronic structure and optical response of electrically gated bilayer graphene are studied by first-principles approaches. We have obtained the induced band gap that is in good agreement with experiment when the applied electric field…
We investigate the orbital diamagnetism of a weak-doped bilayer graphene (BLG) in spatially smoothly varying magnetic field and obtain the general analytic expression of the orbital susceptibility of BLG, with finite wave number and Fermi…
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the possibility of using doped graphene for gas sensors,…
The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…
In this work, we adopt first-principle calculations based on density functional theory and Kinetic Monte Carlo simulations to investigate the adsorption and diffusion of lithium in bilayer graphene (BLG) as anodes in lithium-ion batteries.…
We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…
The second-order nonlinear electrical response (NLER) is an intrinsic property of inversion symmetry-broken systems which can provide deep insights into the electronic band structures of atomically thin quantum materials. However, the…
In a quantizing magnetic field, the chiral two-dimensional electron gas in Landau level $N=0$ of bilayer graphene goes through a series of phase transitions at integer filling factors $\nu \in \left[ -3,3\right] $ when the strength of an…
In transition metal dichalcogenides the spin-orbit interaction affects differently the conduction and valence band energies as functions of $k$ and the band gap is large. Consequently, when a perpendicular magnetic field $B$ is applied the…
We study the orbital Hall effect (OHE) in the AC regime using bilayer graphene (BLG) as a prototypical material platform. While the unbiased BLG has gapless electronic spectra, applying a perpendicular electric field creates an energy band…
The low-frequency magneto-optical absorption spectra of bilayer Bernal graphene are studied within the tight-binding model and gradient approximation. The interlayer interactions strongly affect the electronic properties of the Landau…
Recent work investigated graphene's hydrogenation with independent control of the electric field, E, and charge density, n, in the crystal and showed that the process is controlled by n. Here, we demonstrate layer-selective…
In contrast to monolayer graphene, in bilayer graphene (BLG) one can induce a tunable bandgap by applying an external electric field, which makes it suitable for field effect applications. Extrinsic doping of BLGs enriches the electronic…
We report significant changes of optical conductivity in single layer graphene induced by mild oxygen plasma exposure, and explore the interplay between carrier doping, disorder, and many-body interactions from their signatures in the…
A transformation of the band structure in bilayer graphene (BLG) with relatively shifted layers has been studied in the framework of the tight-binding model. BLG is demonstrated to remain a zero-gap material in the whole range of…
Non-covalent functionalization via physisorption of organic molecules provides a scalable approach for modifying the electronic structure of graphene while preserving its excellent carrier mobilities. Here we investigated the physisorption…