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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 the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…
Electrons most often organize into Fermi-liquid states in which electron-electron interactions play an inessential role. A well known exception is the case of one-dimensional (1D) electron systems (1DES). In 1D the electron Fermi-surface…
We report a theoretical study suggesting a novel type of electronic switching effect, driven by the geometrical reconstruction of nanoscale graphene-based junctions. We considered junction struc- tures which have alternative metastable…
Using first-principles techniques, we calculate the renormalization of the electron Fermi velocity and the vibrational lifetimes arising from electron-phonon interactions in doped bilayer graphene and in graphite and compare the results…
There are a large number of atomically thin graphitic films with similar structure to graphene. These films have a spread of bandgaps relating to their ionicity, and also to the substrate on which they are grown. Such films could have a…
We consider in our work high quality single crystal thin films of Bi2Se3, grown by molecular beam epitaxy, both with and without Pb doping. Our ARPES data demonstrate topological surface states with a Fermi level lying inside the bulk band…
Carbon materials have a range of properties such as high electrical conductivity, high specific surface area, and mechanical flexibility are relevant for electrochemical applications. Carbon materials are utilised in energy…
Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…
The interfacial structure plays a critical role in modern optoelectronics. Currently multilayer electrodes are used to optimize the injection and lifetime properties. The choice of interlayer is not universal, with different effects for the…
We report a theoretical study of the many-body effects of electron-electron interaction on the ground-state and spectral properties of double-layer graphene. Using a projector-based renormalization method we show that if a finite voltage…
The effect of electron-electron interaction on the low-temperature conductivity of graphene is investigated experimentally. Unlike in other two-dimensional systems, the electron-electron interaction correction in graphene is sensitive to…
We study the effects of an attractive interaction between the boron (B) and the nitrogen (N) atoms doped in a bilayer graphene (BLG), BC$_{14}$N, on the electronic, the thermal and the optical properties for two different types of a doping…
In this work, we present an investigation regarding how and why molecular hydrogen changes the electronic properties of graphene field effect transistors. We demonstrate that interaction with H2 leads to local doping of graphene near of the…
Thermoelectric materials open a way to harness dissipated energy and make electronic devices less energy-demanding. Heat-to-electricity conversion requires materials with a strongly suppressed thermal conductivity but still high electronic…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them suitable for probing of ultrathin electrical double…
Ever since the initial experimental observation of correlated insulators and superconductivity in the flat Dirac bands of magic angle twisted bilayer graphene, a search for the microscopic description that explains its strong electronic…
By using the first-principles method based on density of functional theory, we study the electronic properties of twisted bilayer graphene with some specific twist angles and interlayer spacings. With the decrease of the twist angle(the…
Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…