Related papers: Current-carrying molecules: a real space picture
We investigate non-equilibrium particle transport in the system consisting of a geometric scatterer and two leads coupled to heat baths with different chemical potentials. We derive expression for the corresponding current the carriers of…
We present an atomistic theory of electronic transport through single organic molecules that reproduces the important features of the current-voltage characteristics observed in recent experiments. We trace these features to their origin in…
We calculate the energy of a homogeneous one component plasma and find that the energy is lower for correlated motions of the particles as compared to uncorrelated motion. Our starting point is the conserved approximately relativistic…
We calculate the zero temperature conductance and characteristic correlation functions of a molecule with a center of mass (CM) motion which modulates couplings to the leads. In the first model studied, the CM vibrational mode is…
Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical…
New Lagrangians, depending on the field strengths and the electric and magnetic sources are found, which lead to the Maxwell equations. One new feature is that the equations of motion are obtained by varying the Lagrangian with respect to…
In the simulation of biological molecules, it is customary to impose constraints on the fastest degrees of freedom to increase the time step. The evaluation of the involved constraint forces must be performed in an efficient manner, for…
Based on the physical interpretation of the photon continuity equation derived in [M. Hawton, Phys. Rev. A 109, 062221 (2024) ] the standard Lagrangian is second quantized to obtain a Lorentz and gauge invariant theory of single photons.…
Light-induced charge transmission through a molecular junction (molecular diode) is studied in the framework of a HOMO-LUMO model and in using a kinetic description. Expressions are presented for the sequential (hopping) and direct…
Electricity plays a special role in our lives and life. Equations of electron dynamics are nearly exact and apply from nuclear particles to stars. These Maxwell equations include a special term the displacement current (of vacuum).…
We study the mobility of a charged colloidal particle in a constant homogeneous electric field by means of computer simulations. The simulation method combines a lattice Boltzmann scheme for the fluid with standard Langevin dynamics for the…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
The elementary processes taking place in the formation of charged particles and their flow in parallel-plane, cylindrical and spherical ionization chambers are considered. On the basis of particles and charges balance a differential…
An approximate analytic theory is developed and implemented numerically for calculating the space charge limited current and electric field of a thin cylindrical beam or current sheet between two wide parallel electrodes. The flow is…
We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can exhibit asymmetric I-V characteristics due to unequal…
Using a model comprising a 2-level bridge connecting free electron reservoirs we show that coupling of a molecular bridge to electron-hole excitations in the leads can markedly effect the source-drain current through a molecular junction.In…
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…
The Landauer expression for computing current-voltage characteristics in nanoscale devices is efficient and widely applicable but not suited to transient phenomena and time dependent currents because it assumes that the charge carrier…
Membrane paradigm is a powerful tool to study properties of black hole horizons. We first explore the properties of the nonlinear electromagnetic membrane of black holes. For a general nonlinear electrodynamics field, we show that the…
We give a method of describing thermodynamical transport phenomena, based on a quantum scattering theoretical approach. We consider a quantum system of particles connected to thermodynamical reservoirs by leads. The effects of the…