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The tunneling transport theory developed in Phys. Rev. B {\bf 76}, 115102 (2007) is applied to molecular devices made of alkyl chains linked to gold electrodes via amine groups. Using the analytic expression of the tunneling conductance…
We report on the first measurement of the thermal conductivity of a suspended single layer graphene. The measurements were performed using a non-contact optical technique. The near room-temperature values of the thermal conductivity in the…
By means of the first-principles calculations combined with the tight-binding approximation, the strain-induced semiconductor-semimetal transition in graphdiyne is discovered. It is shown that the band gap of graphdiyne increases from 0.47…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding…
Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…
Geometry incommensurability between weakly coupled shells in multi-walled carbon nanotubes is shown to be the origin of unconventional electronic conduction mechanism, power-law scaling of the conductance, and remarkable magnetotransport…
We investigate theoretically the electronic transport properties in narrow graphene ribbons with an adatom-induced defect. It is found that the lowest conductance step of a metallic graphene nanoribbon may develop a dip even down to zero at…
We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted…
We present measurements of the electrical conductance $G$ at room temperature of mechanically controllable break junctions (MCBJ) fabricated from Au in different solvents (octane, DCM, DMSO, and toluene) and compare with measurements in air…
We report ab initio calculations of spin-dependent transport in single atomic carbon chains bridging two zigzag graphene nanoribbon electrodes. Our calculations show that carbon atomic chains coupled to graphene electrodes are perfect…
We have studied tunneling of electrons into multi-wall carbon nanotubes. Nanotube/electrode interfaces with low transparency as well as nanotube/nanotube junctions created with atomic force microscope manipulation have been used. The…
We calculate the conductance variation of several metallic carbon nanotubes as their end is being dipped into a liquid metal electrode, where experiments have shown an achievable conductance close to 1 quantum of conductance. The calculated…
The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate…
We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts. The transport properties are calculated using full…
The conductance of ballistic graphene at the neutrality point is due to coherent electron tunneling between the leads, the so called pseudodiffusive regime. The conductance scales as function of the sample dimensions in the same way as in a…
We study the transport of electrons through a long quantum wire connecting two bulk leads. As the electron density in the wire is lowered, the Coulomb interactions lead to short-range crystalline ordering of electrons. In this Wigner…
The transition between gapped (semiconducting) and gapless (metallic) phases and tunability of bandgap in materials is a very lucrative yet considerably challenging goal for new-age device preparation. For bulk materials and for…
We calculate the current and electrostatic potential drop in metallic carbon nanotube wires self-consistently, by solving the Green's function and electrostatics equations in the ballistic case. About one tenth of the applied voltage drops…
The satisfactory explanation of abnormal electromagnetics in thin graphite-like carbon films till now is absent. The most comprehensible explanation may be the high-temperature superconductivity (HTSC). Times of spasmodic switching of…
We study the electrical and transport properties of monoatomic Mo wires with different structural characteristics. We consider first periodic wires with inter-atomic distances ranging between the dimerized wire to that formed by equidistant…