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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…

Applied Physics · Physics 2021-02-23 Jay Santoki

Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We investigate the state-to-state transition probability for…

Chemical Physics · Physics 2014-12-16 Yang Peng , Luca M. Ghiringhelli , Heiko Appel

Electron transfer at electrode interfaces to molecules in solution or at the electrode surface plays a vital role in numerous technological processes. However, treating these processes requires a unified and accurate treatment of the…

Chemical Physics · Physics 2023-07-19 Kenneth A. Jung , Joseph Kelly , Thomas E. Markland

We study the effects of an external electric field on both the motion of the reaction zone and the spatial distribution of the reaction product, $C$, in an irreversible $A^- +B^+ \to C$ reaction-diffusion process. The electrolytes $A\equiv…

Other Condensed Matter · Physics 2009-11-10 I. Bena , F. Coppex , M. Droz , Z. Racz

Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion (ICF) capsule, such transport causes fuel ion separation even with a target…

Plasma Physics · Physics 2014-05-07 Grigory Kagan , Xian-Zhu Tang

This paper is devoted to the investigation of electron sound -- oscillations of the electron distribution function coupled with elastic deformation and propagating with the Fermi velocity. The amplitude-phase relations characterizing the…

Other Condensed Matter · Physics 2014-02-10 Yu. A. Avramenko , E. V. Bezuglyi , N. G. Burma , V. D. Fil'

Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…

Chemical Physics · Physics 2023-11-02 Shixin Xu , Robert Eisenberg , Zilong Song , Huaxiong Huang

A nonperturbative electron transfer rate theory is developed based on the reduced density matrix dynamics, which can be evaluated readily for the Debye solvent model without further approximation. Not only does it recover for reaction rates…

Quantum Physics · Physics 2007-05-23 Ping Han , Rui-Xue Xu , Baiqing Li , Jian Xu , Ping Cui , Yan Mo , YiJing Yan

We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a set of integral equations. With a simple approximation for the…

chem-ph · Physics 2009-10-28 Juergen T. Stockburger , C. H. Mak

Jaccards' theory describes the movement of both ionic and Bjerrum defects in ice. Standard descriptions of the theory are based on a chain model describing the movement of these defects along well-oriented chains of water molecules.…

Soft Condensed Matter · Physics 2020-08-28 John De Poorter

The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…

Soft Condensed Matter · Physics 2009-11-10 Martin Z. Bazant , Katsuyo Thornton , Armand Ajdari

Ion diffusion is a central part of materials physics of fabrication, deformation, phase transformation, structure stability and electrochemical devices. Conventional theory focuses on the defects that mediate diffusion and explains how…

Materials Science · Physics 2019-08-21 Yanhao Dong , Liang Qi , Ju Li , I-Wei Chen

The electron transfer in different solvents is investigated for systems consisting of donor, bridge and acceptor. It is assumed that vibrational relaxation is much faster than the electron transfer. Electron transfer rates and final…

Soft Condensed Matter · Physics 2016-09-28 D. Kilin , U. Kleinekathoefer , M. Schreiber

Diffusional dynamics of the donor-acceptor distance in electron-transfer reactions are responsible for the appearance of a new time scale of diffusion over the distance of falloff of electronic tunneling. The distance dynamics compete with…

Biological Physics · Physics 2022-09-21 Dmitry V. Matyushov

The Debye-Falkenhagen differential equation is commonly used as a mean-field macroscopic model for describing electrochemical ionic drift and diffusion in dilute binary electrolytes when subjected to a suddenly applied potential smaller…

Classical Physics · Physics 2023-08-02 Anis Allagui , Georgii Paradezhenko , Anastasiia Pervishko , Dmitry Yudin , Hachemi Benaoum

The paper shows how the diffusive movement of ions through a channel protein can be described as a chemical reaction over an arbitrary shaped potential barrier. The result is simple and intuitive but without approximation beyond the…

Biomolecules · Quantitative Biology 2008-07-10 Bob Eisenberg

We use a numerically exact real-time path integral Monte Carlo scheme to compute electron transfer dynamics between two redox sites within a spin-boson approach. The case of asymmetric reactions is studied in detail in the least understood…

Condensed Matter · Physics 2009-11-10 L. Muehlbacher , R. Egger

One propose a relativistic version of the transfer matrix method for an electron moving through a given number of rectangular barriers of arbitrary shape. It is shown that starting with the Dirac equation depending on the effective mass and…

Other Condensed Matter · Physics 2009-11-11 Ion I. Cotaescu , Paul Gravila , Marius Paulescu

We discuss a new mechanism for the electron capture in fast ion-atom collisions. Similarly like in the radiative capture, where the electron transfer occurs due to photon emission, within the mechanism under consideration the electron…

Atomic Physics · Physics 2008-08-06 A. B. Voitkiv , B. Najjari , J. Ullrich

By resorting to a model inspired to the standard Davydov and Holstein-Fr\"ohlich models, in the present paper we study the motion of an electron along a chain of heavy particles modelling a sequence of nucleotides proper to a DNA fragment.…

Biological Physics · Physics 2021-08-17 Elham Faraji , Roberto Franzosi , Stefano Mancini , Marco Pettini