Related papers: Gas adsorption effects on electronic and magnetic …
The electronic structure modifications of WSe2 upon NO2-adsorption at room and low temperatures were studied by means of photoelectron spectroscopy. We found only moderate changes in the electronic structure, which are manifested as an…
We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene expand upon electron injection. (2) Upon hole injection,…
Twisted bilayers, featuring interfacial ferroelectricity in the form of array of polar domains, combined with incommensurate two-dimensional layers in a single van der Waals heterostructures allows for generation of purely electrostatic…
Gas sensors built using two-dimensional (2D) MoS2 have conventionally relied on a change in field-effect-transistor (FET) channel resistance or a change in Schottky contact/pn homojunction barrier. This report demonstrates, for the first…
When two-dimensional electron gases (2DEGs) are exposed to magnetic field, they resonantly absorb electromagnetic radiation via electronic transitions between Landau levels (LLs). In 2DEGs with a Dirac spectrum, such as graphene, theory…
We investigate from first-principles many-body theory the role of the donor conjugation length in doped organic semiconductors forming charge-transfer complexes (CTCs) exhibiting partial charge transfer. We consider oligothiophenes (nT)…
We investigate the adsorption of molecular hydrogen on pristine zinc oxide (ZnO) platelets. The volumetric and gravimetric hydrogen storage capacities of the ZnO monolayers are evaluated in a broad range of thermodynamic conditions (i.e.,…
We present evidence of 6.7 GHz methanol (CH3OH)~and 4.8 GHz formaldehyde (H2CO) absorption towards the Galactic Center (GC) point-source `N3'. Both absorption features are unresolved and spatially aligned with N3. The 6.7 GHz CH3OH contains…
The electronic structure of pentacene decorated with dipole groups (d-pentacene) and adsorbed onto a graphene substrate has been studied within the density functional theory. Three reference configurations have been considered, namely the…
Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (C$_3$N) and boron-carbide (BC$_3$) exhibit exceptional physical properties. On this basis, we propose two novel graphene-like…
Adsorption of small ligands on semiconductor surfaces is a possible route to modify these surfaces so that they can be used in biosensing and optoelectronic devices. In this work we perform density-functional theory calculations of…
Investigations of the magnetic properties of graphenes prepared by different methods reveal that dominant ferromagnetic interactions coexist along with antiferromagnetic interactions in all the samples. Thus, all the graphene samples…
We demonstrate the optical absorption has been enhanced in the small molecule organic solar cells by employing trapezoid grating structure. The enhanced absorption is mainly attributed to both waveguide modes and surface plasmon modes,…
The interaction of metals with carbon materials, specifically with graphene, is of importance for various technological applications. In particular, intercalation of alkali metals is believed to provide a means for tuning the electronic…
We present calculations of the electronic and thermal transport properties of graphene antidot lattices with a finite length along the transport direction. The calculations are based on a single orbital tight-binding model and the Brenner…
We theoretically and experimentally investigate the optical absorption properties of heterostructures composed of graphene films and truncated photonic crystals (PCs) in the visible range. The experimental results show that the absorption…
We investigated properties of heavy rare-gases, Ne, Ar, Kr, Xe and Rn, adsorbed on graphene substrates using molecular dynamics. We gathered evidences of commensurate solids for Ne and Kr adlayers, one of them is given by a typical behavior…
We study local electronic properties of graphene oxide (GO) and reduced graphene oxide (RGO) on metallic (Pt) and insulating (Si3N4) substrates in controlled humidity environment. We demonstrate that the supporting substrate plays a crucial…
Molecular hydrogen is at the core of hydrogen energy applications and has the potential to significantly reduce the use of carbon dioxide emitting energy processes. However, hydrogen gas storage is a major bottleneck for its large-scale use…
The quantum Hall effect is generally understood for free electron gases, in which topologically protected edge states between Landau levels (LLs) form conducting channels at the edge of the sample. In periodic crystals, the LLs are…