相关论文: Ionic current rectification under concentration gr…
We study the role of steric effects on the induced-charge electro-osmosis (ICEO) phenomenon using a recently developed mesoscale fluid model. A hybrid Eulerian-Lagrangian method is used to simulate the dynamics of discrete immersed ions in…
We study the electron-impact induced ionization of O$_{2}$ from threshold to 120 eV using the electron spectroscopy method. Our approach is simple in concept and embodies the ion source with a collision chamber and a mass spectrometer with…
Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…
An effective potential approach in combination with the molecular dynamics (MD) method was used to study the effect of the ionic core on the transport properties of ions in the warm dense matter regime. As an example, we considered shocked…
The current theory of alternating-current electro-osmosis (ACEO) is unable to explain the experimentally observed flow reversal of planar ACEO pumps at high frequency (above the peak, typically 10-100 kHz), low salt concentration (1-1000…
The fault characteristics of inverter-based resources (IBRs) are different from conventional synchronous generators. The fault response of IBRs is non-linear due to saturation states and mainly determined by fault ride through (FRT)…
We calculate the power spectrum of electric-field-driven ion transport through cylindrical nanometer-scale pores using both linearized mean-field theory and Langevin dynamics simulations. With the atom-sized cutoff radius as the only…
Space Charge (SC) distortions are some of the main issues for high-resolution Time Projection Chambers (TPC). The two main SC sources are those from primary ionizations and those that result from amplification stages. The gain stages are…
In this paper we find an analytical solution of the equilibrium ion distribution for a toroidal model of a ionic channel, using the Perfect Screening Theorem (PST). The ions are charged hard spheres, and are treated using a variational Mean…
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the…
Gate-modulated nanopores have emerged as a promising platform for achieving ion selectivity and ionic current rectification (ICR) with the advantage of active field-based control. However, the mechanistic origin of these experimentally…
Mixed ionic electronic transfer (MIET) reactions, such as the oxygen reduction reaction (ORR) at oxide surfaces, are of paramount importance to manifold technologically highly relevant processes and fundamental understanding must be…
The response of ionic solutions to time-varying electric fields, quantified by a frequency-dependent conductivity, is essential in many electrochemical applications. Yet, it constitutes a challenging problem due to the combined effect of…
An approach to calculation of the ionized impurity and surface roughness scattering rates of electrons in very thin semiconductor quantum wires taking into account the energy level broadening is worked out. It is assumed that all the…
The problem of optimal control of power distribution systems is becoming increasingly compelling due to the progressive penetration of distributed energy resources in this specific layer of the electrical infrastructure. Distribution…
In situ electrochemical dilatometry was used to study, for the first time, the expansion behavior of a porous carbon electrode in a pure ionic liquid, 1-ethyl-3-methyl-imidazolium-tetrafluoroborate. For a single electrode, an applied…
The selection of suitable ionic liquids (ILs) is critical for CO2 capture and electrocatalytic conversion into valuable chemical products. The screening process can be enhanced with theoretical simulations that reveal the…
The MARTINI coarse-grained (CG) force field is used to test the ability of CG models to simulate ionic transport through protein nanopores. The ionic conductivity of CG ions in solution was computed and compared with experimental results.…
Blue energy relies on the chemical potential difference generated between solutions of high and low ionic strength and would provide a sun-and-wind independent energy source at estuaries around the world. Converting this osmotic energy…
We study the vapour-liquid phase behaviour of an ionic fluid confined in a random porous matrix formed by uncharged hard sphere particles. The ionic fluid is modelled as an equimolar binary mixture of oppositely charged equisized hard…