相关论文: Irreversibility and hysteresis in redox molecular …
Redox molecular junctions are molecular conduction junctions that involve more than one oxidation state of the molecular bridge. This property is derived from the ability of the molecule to transiently localize transmitting electrons,…
Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…
The transport properties of a conduction junction model characterized by two mutually coupled channels that strongly differ in their couplings to the leads are investigated. Models of this type describe molecular redox junctions (where a…
It is shown that the ``hysteresis'' in a polaron model of electron transport through the molecule found by M.Galperin et al. [Nano Lett. 5, 125 (2005)] is an artefact of their ``mean-field'' approximation. The reason is trivial: after…
The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…
The study focuses on the 3D electro-hydrodynamic (EHD) instability for flow between to parallel electrodes with unipolar charge injection with and without cross-flow. Lattice Boltzmann Method (LBM) with two-relaxation time (TRT) model is…
We investigate the transport characteristics of a redox system weakly coupled to leads in the Coulomb blockade regime. The redox system comprises a donor and acceptor separated by an insulating bridge in a solution. It is modeled by a…
For defining the conductance of single molecule junctions with a redox functionality in an electrochemical cell, two conceptually different electron transport mechanisms, namely coherent tunnelling and vibrationally induced hopping compete…
Theory of current hysteresis for tunneling through a molecular quantum dot (MQD) with strong electron-vibron interactions and attractive electron-electron correlations is developed. The dot is modeled as a d-fold degenerate energy level…
Understanding energy transport at the nanoscale is an open and fundamental challenge in the molecular sciences with direct implications for the design of new electronics, computing devices, and materials. While nanoscale energy transport…
The breaking of spatial inversion symmetry in condensed matter gives rise to intriguing physical properties, such as ferroelectricity, piezoelectricity, spin-momentum locking, and nonreciprocal responses. Here we propose that a…
In many real-world contagion phenomena, the number of contacts to spreading entities for adoption varies for different individuals. Therefore, we study a model of contagion dynamics with heterogeneous adoption thresholds. We derive…
We consider a single molecule circuit embedded into solvent. The Born dielectric solvation model is combined with Keldysh nonequilibrium Green's functions to describe the electron transport properties of the system. Depending on the…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
A minimal model for coherent transport through a donor/acceptor molecular junction is presented. The two donor and acceptor sites are described by single levels energetically separated by an intramolecular tunnel barrier. In the limit of…
The non-selective voltage activated cation channel from the human red cells, which is activated at depolarizing potentials, has been shown to exhibit counter-clockwise gating hysteresis. We have analyzed the phenomenon with the simplest…
The inertia of trapping and detrapping of nonequilibrium charge carriers affects the electrochemical and transport properties of both bulk and nanoscopic structures in a very peculiar way. An emerging memory response with a hysteresis in…
Stochastic network-dynamics are typically assumed to be memory-less. Involving prolonged dwells interrupted by instantaneous transitions between nodes such Markov networks stand as a coarse-graining paradigm for chemical reactions, gene…
A number of memristive devices, mainly ReRAMs, have been reported to exhibit a unique non-zero crossing hysteresis attributed to the interplay of resistive and not yet fully understood `capacitive', and `inductive' effects. This work…
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…