Related papers: Theory of coupled ion-electron transfer kinetics
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…
An outstanding challenge in materials science and physics is the harnessing of light for switching charge order in e.g., ferroelectrics. Here we propose a mechanism through which electrons in ferroelectric bilayers excited with light cause…
The electron-photon interaction in 2D materials obeys the rule of electron valley-photon polarization correspondence. At the quantum level, such correspondence can be utilized to entangle valleys and polarizations and attain the transfer of…
Microscale turbulence drives not only particle and heat transport but also energy exchange between different particle species. Previous local gyrokinetic studies have shown that turbulent energy exchange can exceed collisional exchange in…
In order to compare theoretical calculations of thermal fluctuations of conserved quantities, such as charge susceptibilities or the specific heat, to experimentally measured correlations and fluctuations in heavy ion collisions, one must…
In this paper we study theoretically the process of electron capture between one-optical-electron atoms (e.g. hydrogenlike or alkali atoms) and ions at low-to-medium impact velocities ($v/v_e \approx 1$) working on a modification of an…
We propose an effective field theory describing the time dependent fluctuations of electrons in conducting systems, generalizing the well known kinetic theory of fluctuations. On several examples, we show its equivalence, (when quantum…
Diffusion-driven processes are important phenomena of materials science in the field of energy conversion and transmission. During the conversion from chemical energy to electrical energy, the species diffusion is generally linked to the…
We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing…
We describe a simple approach to the problem of incorporating the response time of an atom or ion being Doppler-cooled into the theory of the cooling process. The system being cooled does not in general respond instantly to the changing…
A microscopic theory for cation diffusion in polymer electrolytes is presented. Based on a thorough analysis of molecular dynamics simulations on PEO with LiBF$_4$ the mechanisms of cation dynamics are characterised. Cation jumps between…
An isothermal porous-electrode model of a discharging lead-acid battery is presented, which includes an extension of concentrated-solution theory that accounts for excluded-volume effects, local pressure variation, and a detailed…
Confined nanoscale spaces, electric fields and tunneling currents make the molecular electronic junction an experimental device for the discovery of new, out-of-equilibrium chemical reactions. Reaction-rate theory for current-activated…
A toy statistical model which mimics localized-to-itinerant electron transitions is introduced. We consider a system of two types of charge carriers: (1) localized ones, and (2) itinerant ones. There is chemical equilibrium between these…
In this study, the energy exchange between electrons and ions in ITG TEM turbulence is investigated using gyrokinetic simulations. The energy exchange in TEM turbulence is primarily composed of the cooling of electrons associated with…
We consider a prototype polyene chain: donor-$\pi$(bridge)-acceptor. The distance between the donor and the acceptor is varied by increasing the number of bridged atoms and rate of electron transfer, k$_{et}$ is studied for a series of…
The importance of torsion vibration in the transmission of life information is indicated. The localization of quantum torsion state is proved. Following these analyses a formalism on the quantum theory of conformation-electron system is…
A rigorous QED theory of the spectral line profiles is applied to transition probabilities in few-electron highly charged ions. Interelectron interaction corrections are included as well as radiative corrections. Parity nonconserving (PNC)…
For the successful implementation of organic electrochemical transistors in neuromorphic computing, bioelectronics, and real-time sensing applications it is essential to understand the factors that influence device switching times. Here we…
We consider the transition of electron between two quantum dots in which the discrete levels are swept past each other with a constant velocity. If a direct tunneling between the dot levels was allowed, an electron will be transferred…