Related papers: Inducing energy gaps in graphene monolayer and bil…
Because graphene is an atomically two-dimensional gapless semiconductor with nearly identical conduction and valence bands, graphene-based bilayers are attractive candidates for high-temperature electron-hole pair condensation. We present…
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.…
Transition-metal (TM) atom-functionalized nanomaterials are promising candidates for hydrogen storage due to their ability to adsorb multiple hydrogen molecules through Kubas interactions. However, achieving efficient hydrogen desorption at…
Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…
Because of the dominant role of the surface of molecules and their individuality, molecules behave dis-tinctively in a confined space, which has far-reaching implications in many physical, chemical and bio-logical systems. Here, we…
We study the influence of different kinds of gaps in a quasiparticle spectrum on longitudinal and transverse optical conductivities of bilayer graphene. An exact analytical expression for magneto-optical conductivity is derived using a…
We demonstrate a large enhancement of the spin accumulation in monolayer graphene following electron-beam induced deposition of an amorphous carbon layer at the ferromagnet-graphene interface. The enhancement is 10^4-fold when graphene is…
Recent experiments show that a substantial energy gap in graphene can be induced via patterned hydrogenation on an iridium substrate. Here, we show that the energy gap is roughly proportional to $\sqrt{N_{H}}/N_{C}$ when disorder is…
Coherent control of optically-injected carrier distributions in single and bilayer graphene allows the injection of electrical currents. Using a tight-binding model and Fermi's golden rule, we derive the carrier and photocurrent densities…
High mobility single and few-layer graphene sheets are in many ways attractive as nanoelectronic circuit hosts but lack energy gaps, which are essential to the operation of field-effect transistors. One of the methods used to create gaps in…
Experiments on graphene bilayers, where the top layer is rotated with respect to the one below, have displayed insulating behavior when the moir\'e bands are partially filled. We calculate the charge distributions in these phases, and…
We study an epitaxial graphene monolayer with bilayer inclusions via magnetotransport measurements and scanning gate microscopy at low temperatures. We find that bilayer inclusions can be metallic or insulating depending on the initial and…
Graphene possesses remarkable electronic, optical and mechanical properties that have taken the research of two-dimensional relativistic condensed matter systems to prolific levels. However, the understanding of how its nonlinear optical…
We present first-principles calculations of silicene/graphene and germanene/graphene bilayers. Various supercell models are constructed in the calculations in order to reduce the strain of the lattice-mismatched bilayer systems. Our…
Graphene [1] and its bilayer have generated tremendous excitement in the physics community due to their unique electronic properties [2]. The intrinsic physics of these materials, however, is partially masked by disorder, which can arise…
Following recently published study of Prezhdo and coworkers (JPC Letters, 2014, 5, 4129-4133), we report a systematic investigation of how monovalent and divalent ions influence valence electronic structure of graphene. Pure density…
We present an interpretation of recent experimental measurements of dmu/dn in suspended bilayer graphene samples. We demonstrate that the data may be quantitatively described by assuming a spatially varying band gap induced by local…
We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to…
Various properties of water are affected by confinement as the space-filling of the water molecules is very different from bulk water. In our study, we challenged the creation of a stable system in which water molecules are permanently…
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…