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Whether at phenomenological or microscopic levels, most theoretical approaches to charge transport through molecular junctions postulate or attempt to justify microscopically the existence of a dominant molecular orbital (MO). Within such…
The proposed protocol is an attempt to meet the experimentalists' legitimate desire of reliably and easily extracting microscopic parameters from current-voltage measurements on molecular junctions. It applies to junctions wherein charge…
{Analytical equations like Richardson-Dushman's or Shockley's provided a general, if simplified conceptual background, which was widely accepted in conventional electronics and made a fundamental contribution to advances in the field. In…
Routinely, experiments on tunneling molecular junctions report values of conductances ($G_{RT}$) and currents ($I_{RT}$) measured at room temperature. On the other side, theoretical approaches based on simplified models provide analytic…
We discuss the factors that determine the overall shape and magnitude of the current-voltage (I-V) characteristics of a variety of molecular conductors sandwiched between two metallic contacts. We analyze the individual influences of the…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
In molecular charge transport, transition voltage spectroscopy (TVS) holds the promise that molecular energy levels can be explored at bias voltages lower than required for resonant tunneling. We investigate the theoretical basis of this…
We report first-principles calculations of the inelastic current-voltage (I-V) characteristics of a gold point contact and a molecular junction in the nonresonant regime. Discontinuities in the I-V curves appear in correspondence to the…
We measure the current vs voltage (I-V) characteristics of a diodelike tunnel junction consisting of a sharp metallic tip placed at a variable distance d from a planar collector and emitting electrons via electric-field assisted emission.…
The Simmons model is a well-known and widely used model for the elastic tunneling current of a metallic tunnel junction, and fitting it to electrical measurements can be used to estimate thicknesses and heights of the tunnel barriers. We…
We analyze the transport in disordered two-dimensional nanoparticle arrays. We show that the commonly used scaling hypothesis to fit the I-V curves does not describe the electronic transport in these systems. On the contrary, close to the…
The i-V curve describes the current drawn from a flame as a function of the voltage difference applied across the reaction zone. Since combustion diagnostics and flame control strategies based on electric fields depend on the amount of…
It is proposed two models describing transport and absorbtion processes that occur in nanoscale fragments of electrical circuits, pulled adsorbed molecules, atomic or molecular chains connecting electrodes. Discrete chain model of a…
We study from first principles the transport properties of Al/AlOx/Al tunnel junctions. On this basis, we analyze the reliability of two analytical models for the conductance, namely the trapezoid potential barrier model and a tight-binding…
Monte Carlo simulations and an analytical approach within the framework of a semiclassical model are presented which permit the determination of Coulomb blockade and single electron charging effects for multiple tunnel junctions coupled in…
Temperature ($T$) dependent conductance $G = G(T)$ data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of $\ln G$…
By use of the multi-Josephson junction model, we investigate voltage-biased I-V characteristics. Differently from the case of the single junction, I-V characteristics show a complicated behavior due to inter-layer couplings among…
The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic…
In recent years, several experimental groups have reported measurements of the current-voltage (I-V) characteristics of individual or small numbers of molecules. Our purpose in this chapter is to provide an intuitive explanation for the…
Superconductor-topological insulator-superconductor Josephson junctions have been fabricated in order to study the width dependence of the critical current, normal state resistance and flux periodicity of the critical current modulation in…