相关论文: Irreversibility and hysteresis in redox molecular …
Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…
We study charge transport across the metal-insulator crossover in the half-filled two-dimensional Hubbard model, with particular emphasis on precision control. The dynamic current-current correlation function is obtained directly in the…
We study the transport through a resonant level coupled to two leads with the latter being described by Wigner's random matrices. By taking appropriate thermodynamic limit before taking the long time limit, we obtain the stationary current…
We examine the nonequilibrium nature of two-phase fluid displacements in a quasi-two-dimensional medium (a model open fracture), in the presence of localized constrictions ("defects"), from a theoretical and numerical standpoint. Our…
We derive an explicit expression for the quantum conductivity of a molecular wire containing a redox center, which is embedded in an electrochemical environment. The redox center interacts with the solvent, and the average over the solvent…
Single-enzyme catalysis offers a promising approach for unravelling the dynamic behaviour of individual enzymes as they undergo a reaction, revealing the complex heterogeneity that is lost in the averaged ensembles. Here we demonstrate…
There are various quantum chemical approaches for an ab initio description of transfer integrals within the framework of Marcus theory in the context of electron transfer reactions. In our article we aim to calculate transfer integrals in…
Charge transport through single molecules can be influenced by the charge and spin states of redox-active metal centres placed in the transport pathway. These molecular intrinsic properties are usually addressed by varying the molecules…
How is the irreversibility of a high-dimensional chaotic system controlled by the heterogeneity in the non-reciprocal interactions among its elements? In this paper, we address this question using a stochastic model of random recurrent…
We performed self-consistent modelling of electrotransport and electromechanical response of solid electrolyte thin films allowing for steric effects of mobile charged defects (ions, protons or vacancies), electron degeneration and Vegard…
Nonreciprocal charge transport phenomena are studied theoretically for two-dimensional noncentrosymmetric superconductors under an external magnetic field $B$. Rashba superconductors, surface superconductivity on the surface of…
Models of threshold driven contagion explain the cascading spread of information, behavior, systemic risk, and epidemics on social, financial and biological networks. At odds with empirical observation, these models predict that…
Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that…
We introduce a model that accounts for the bipolar resistive switching phenomenom observed in transition metal oxides. It qualitatively describes the electric field-enhanced migration of oxygen vacancies at the nano-scale. The numerical…
Magnetic junction is considered which consists of two ferromagnetic metal layers, a thin nonmagnetic spacer in between, and nonmagnetic lead. Theory is developed of a magnetization reversal due to spin injection in the junction.…
The position of an interface (domain wall) in a medium with random pinning defects is not determined unambiguously by a current value of the driving force even in average. Based on general theory of the interface motion in a random medium…
Growing evidence suggests that the macroscopic functional states of urban road networks exhibit multistability and hysteresis, but microscopic mechanisms underlying these phenomena remain elusive. Here, we demonstrate that in real-world…
We show that prominent features in voltage-current characteristics, recently measured in the mixed state of high-Tc superconductors and interpreted as evidence for an irreversibility line or a vortex-glass transition, may very well be…
We investigate hysteresis effects in a model for non-volatile memory devices. Two mechanisms are found to produce hysteresis effects qualitatively similar to those often experimentally observed in heterostructures of transition metal…
Inelastic low-energy (0--1 eV) collisions of electrons with HeH$^+$ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of {\it ab initio}…