Related papers: Inelastic current-voltage characteristics of atomi…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
The DC-response, namely the $I$-$V$ and $G$-$V$ charateristics, of a variety of composite materials are in general found to be nonlinear. We attempt to understand the generic nature of the response charactersistics and study the…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
We analyze various limits of vibrationally coupled resonant electron transport in single-molecule junctions. Based on a master equation approach, we discuss analytic and numerical results for junctions under a high bias voltage or weak…
A graphical representation based on the isothermal current-voltage (IV) measurements of typical memristive interfaces is presented. This is the starting point to extract relevant microscopic information of the parameters that control the…
Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…
We present a method for including inelastic scattering in a first-principles density-functional computational scheme for molecular electronics. As an application, we study two geometries of four-atom gold wires corresponding to two…
Monatomic and molecular hydrogen and also oxygen, as well as water molecules and OH that are exposed to atomic copper in intimate contact have been studied theoretically using computational methods. The authors optimized moderately large…
Using first principle approaches, we investigate the effects of isotope substitution on the inelastic features in the hydrogen molecular junction. We observe thatlocal heating and inelastic current have significant isotope-substitution…
We report on the fabrication and current-voltage (IV) characteristics of very narrow, strip-like arrays of metal nanoparticles. The arrays were formed from gold nanocrystals self-assembled between in-plane electrodes. Local cross-linking of…
We report a theoretical/experimental study of current-voltage characteristics (I-V) of graphene devices near the Dirac point. The I-V can be described by a power law (I \propto V^\alpha, with 1< \alpha <= 1.5). The exponent is higher when…
We consider several fundamental optical phenomena involving single molecules in biased metal-molecule-metal junctions. The molecule is represented by its highest occupied and lowest unoccupied molecular orbitals, and the analysis involves…
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is…
The coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to…
Here we present theoretical studies of the effect of vibronic coupling on nonlinear transport characteristics (current-voltage and conductance-voltage) in molecular electronic devices. Considered device is composed of molecular quantum dot…
Negative differential resistance - a decrease in current with increasing bias voltage - is a counter-intuitive effect that is observed in various molecular junctions. Here, we present a novel mechanism that may be responsible for such an…
We present a detailed study of the non-linear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single orbital level with strong Coulomb interaction is coupled to a localized…
A polarity-dependent reversible change in the current-voltage characteristics between states corresponding to different values of the excess current ${{I}_{exc}}$ is observed for bias voltages of several hundred millivolts in…
The Ohmic conductance and current through two quantum dots in series is investigated for the case of incoherent tunnelling. A generalised master equation is employed to include the discrete nature of the energy levels. Regions of negative…
The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…