Related papers: Designing all-graphene nanojunctions by covalent f…
Multilayered graphene-based nanoporous membranes with electrolyte incorporated between individual sheets is a unique nano-heterostructure system in which nanoconfined electrons in graphene and ions confined in between sheets are intimately…
By merging bottom-up and top-down strategies we tailor graphene's electronic properties within nanometer accuracy, which opens up the possibility to design optical and plasmonic circuitries at will. In a first step, graphene electronic…
Graphene nanoribbons (GNRs) are atomically precise stripes of graphene with tunable electronic properties, making them promising for room-temperature switching applications like field-effect transistors (FETs). However, challenges persist…
Graphene-based nanostructures exhibit a vast range of exciting electronic properties that are absent in extended graphene. For example, quantum confinement in carbon nanotubes and armchair graphene nanoribbons (AGNRs) leads to the opening…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
Polyradical nanographenes featuring strong spin entanglement and robust many-body spin states against external magnetic perturbations not only enable the exploration of correlated quantum magnetism at the molecular scale, but also…
We study spin dependent transport through a magnetic bilayer graphene nanojunction configured as two dimensional normal/ferromagnetic/normal structure where the gate-voltage is applied on the layers of ferromagnetic graphene. Based on the…
Controlled placement of nanomaterials at predefined locations with nanoscale precision remains among the most challenging problems that inhibit their large-scale integration in the field of semiconductor process technology. Methods based on…
Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…
Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting…
A resonant chiral tunneling (CT) across a graphene junction (GJ) induced by an external electromagnetic field (EF) is studied. Modulation of the electron and hole wavefunction phases $\varphi$ by the external EF during the CT processes…
We have carried out the systematic study of quantum capacitance (C$_Q$) in functionalized graphene. The functionlization of graphene has been done by doping with different aliphatic and aromatic molecules and their radicals. Using density…
Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…
Electronic decoupling of graphene from metallic and semiconducting substrates via intercalation of different species is one of the widely used approaches in studies of graphene. In the present work the modification of the electronic and…
The active photonics based on the two-dimensional material graphene has attracted enormous interests for developing the tunable and compact optical devices with high efficiency. Here we integrate graphene into the Fano-resonant…
We investigate quantum transport properties of triangular graphene flakes with zigzag edges by using first principles calculations. Triangular graphene flakes have large magnetic moments which vary with the number of hydrogen atoms…
Graphene has shown great application opportunities in future nanoelectronic devices due to its outstanding electronic properties. Moreover, its impressive optical properties have been attracting the interest of researchers, and, recently,…
Nonlinear nanophotonics leverages engineered nanostructures to funnel light into small volumes and intensify nonlinear optical processes with spectral and spatial control. Due to its intrinsically large and electrically tunable nonlinear…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…