Related papers: Route to Achieving Enhanced Quantum Capacitance in…
We discuss the residual carrier density (n*) near the Dirac point (DP) in graphene estimated by quantum capacitance (CQ) and conductivity measurements. The CQ at the DP has a finite value and is independent of the temperature. A similar…
The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this paper we first…
Coal-derived graphene-like material and its addition to FCC copper are investigated using ab initio plane wave density functional theory (DFT). We explore ring disorder in the sp2 carbon, and functional impurities such as oxides (-O), and…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
Whether or not specific ion effects determine the charge storage properties of aqueous graphene and graphite-based supercapacitors remains a highly debated topic. In this work we present a multiscale quantum mechanics classical molecular…
The classical picture of the force on a capacitor assumes a large density of electronic states, such that the electrochemical potential of charges added to the capacitor is given by the external electrostatic potential and the capacitance…
It has been recently observed that the conventional electron-phonon mediated superconducting phase in graphene can be easily induced by doping its surface with the lihitum adatoms. Due to the emerging interest in this field of research we…
Graphene double quantum open the possibility to use charge or spin degrees of freedom for storing and manipulating quantum information in this new electronic material. However, impurities and edge disorders in etched graphene…
We show by first-principles calculations that p-doped graphane is a conventional superconductor with a critical temperature (Tc) above the boiling point of liquid nitrogen. The unique strength of the chemical bonds between carbon atoms and…
Thermal conductivity is a critical material property in numerous applications, such as those related to thermoelectric devices and heat dissipation. Effectively modulating thermal conductivity has become a great concern in the field of heat…
In this study, we investigated the graphene-ionic liquid (EMImBF4) interface to clarify the effects of ambient temperature and potential on the differential capacitance. We complemented molecular dynamics simulations with density functional…
The spatial arrangement of adsorbates deposited onto a clean surface in vacuum typically cannot be reversibly tuned. Here we use scanning tunneling microscopy to demonstrate that molecules deposited onto graphene field-effect transistors…
Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carbon atoms in graphene form covalent bonds with Si atoms, when…
An effective quantum field theory description of graphene in the ultra-relativistic regime is given by reduced QED aka. pseudo QED aka. mixed-dimensional QED. It has been speculated in the literature that reduced QED constitutes an example…
We present a new way to enhance the electron-phonon coupling constant and the critical superconducting temperature of graphene, significantly beyond all reported values. Using density functional theory, we explore the application effects of…
Besides the plenty of applications of graphene allotropes in condensed matter and nanotechnology, we argue that graphene sheets might be engineered to support room-temperature topological quantum processing of information. The argument is…
We investigate the stability and electronic properties of single Co atoms on graphene with near-exact many-body calculations. A frozen-orbital embedding scheme was combined with auxiliary-field quantum Monte Carlo to increase the reach in…
Epitaxial graphene on SiC(0001) suffers from strong intrinsic n-type doping. We demonstrate that the excess negative charge can be fully compensated by non-covalently functionalizing graphene with the strong electron acceptor…
We have performed density functional theory calculations of graphene decorated with carbon adatoms, which bind at the bridge site of a C--C bond. Earlier studies have shown that the C adatoms have magnetic moments and have suggested the…
Electronic properties of graphene quantum dots (GQDs) constitute a subject of intense scientific interest. Being smaller than 20 nm, GQDs contain confined excitons in all dimensions simultaneously. GQDs feature a non-zero band gap and…