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Proper design and manufacturing thermal bridges based on molecular junctions at the contact between graphene platelets or other thermally conductive nanoparticles would provide a fascinating way to produce efficient heat transport networks…
Photo-induced charge separation in nanowires or molecular wires had been studied in previous experiments and simulations. Most researches deal with the carrier diffusions with the classical phenomenological models, or the static energy…
Recent molecular dynamics simulation methods have enabled thermal conductivity of bulk materials to be estimated. In these simulations, periodic boundary conditions are used to extend the system dimensions to the thermodynamic limit. Such a…
Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V) dependence of differential conductance (dI/dV) between edge- and…
Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the…
Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…
We investigate the density and temperature-dependent conductance of graphene nanoribbons with varying aspect ratio. Transport is dominated by a chain of quantum dots forming spontaneously due to disorder. Depending on ribbon length,…
The influence of the charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by generalized Breit-Wigner formula. Molecule is modeled as a quantum dot…
Nanofluidic systems exhibit transport characteristics that have made technological marvels such as desalination, energy harvesting, and highly sensitive biomolecule sensing possible by virtue of their ability to influence small currents due…
Quantized conductance behavior of gold nano wires was studied under electrochemical potential control. We fabricated 1 nm long mono atomic wires in solution at room temperature. Electrochemical potential significantly affected the stability…
We study two-terminal configurations in junctions between a topological superconducting wire with spin-orbit coupling and magnetic field, and an ordinary conductor with an embedded quantum dot. One of the signatures of the Majorana zero…
Measurement and theory of the two-terminal conductance of monolayer and bilayer graphene in the quantum Hall regime are compared. We examine features of conductance as a function of gate voltage that allow monolayer, bilayer, and gapped…
Graphene nanoribbons and constrictions are envisaged as fundamental components of future carbon-based nanoelectronic and spintronic devices. At nanoscale, electronic effects in these devices depend heavily on the dimensions of the active…
Geometry, stability, and thermal transport of graphene nanoquilts folded by hydrogenation are studied using molecular dynamics simulations. The hydrogenated graphene nanoquilts show increased thermodynamic stability and better transport…
Manipulating the electrostatic double layer and tuning the conductance in nanofluidic systems at salt concentrations of 100 mM or higher has been a persistent challenge. The primary reasons are (i) the short electrostatic proximity length,…
We use an on-chip superconducting resonator as a sensitive meter to probe the properties of graphene double quantum dots at microwave frequencies. Specifically, we investigate the charge dephasing rates in a circuit quantum electrodynamics…
The electrical conductivity of a macroscopic assembly of nanomaterials is determined through a complex interplay of electronic transport within and between constituent nano-objects. Phonons play dual roles in this situation: their increased…
We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, that are based on a combination of non-equilibrium Green function techniques and density…
Thermal conduction in polymer nanocomposites depends on several parameters including the thermal conductivity and geometrical features of the nanoparticles, the particle loading, their degree of dispersion and formation of a percolating…
Electronic current densities can reach extreme values in highly conducting nanostructures where constrictions limit current. For bias voltages on the 1 volt scale, the highly non-equilibrium situation can influence the electronic density…