Related papers: Ionic Capillary Evaporation in Weakly Charged Nano…
We simulate the electron transmission through insulating Mylar (PET) capillaries. We show that the mechanisms underlying the recently discovered electron guiding are fundamentally different from those for ion guiding. Quantum reflection and…
Water desalination by capacitive deionization (CDI) is performed via electrochemical cells consisting of two porous carbon electrodes. Upon transferring charge from one electrode to the other, ions are removed from the feedwater by…
Polymer materials with low water uptake exhibit a highly heterogeneous interior, characterized by water clusters in the form of nanodroplets and nanochannels. Here, based on our recent insights from computer simulations, we argue that water…
It is generally assumed that oxygen potential in a thin oxide electrolyte follows a linear distribution between electrodes. Jacobsen and Mogensen have shown, however, that this is not the case for thin zirconia membranes in solid oxide…
The remaining dynamical degrees of freedom of molecular fluids confined into capillaries of nano to sub-nanometer diameter are of fundamental relevance for future developments in the field of nanofluidics. These properties cannot be simply…
Within a dipolar Poisson-Boltzmann theory including electrostatic correlations, we consider the effect of explicit solvent structure on solvent and ion partition confined to charged nanopores. We develop a relaxation scheme for the solution…
We investigate the effect of cylindrical nano-confinement on the phase behaviour of a rigid model of carbon dioxide using both molecular dynamics and well tempered metadynamics. To this aim we study a simplified pore model across a…
We find that a system of particles interacting through a simple isotropic potential with a softened core is able to exhibit a rich phase behavior including: a liquid-liquid phase transition in the supercooled phase, as has been suggested…
An {\it atomistic} approach allowing an accurate and efficient treatment of depolarizing energy and field in {\it any} low-dimensional ferroelectric structure is developed. Application of this approach demonstrates the limits of the widely…
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.…
In living organisms, information is processed in interconnected symphonies of ionic currents spiking through protein ion channels. As a result of dynamically switching their conductive states, ion channels exhibit a variety of…
We revisit the theory of ion transport in parallel-plate channels and also discuss how the wettability of a solid and the mobility of adsorbed surface charges impact the transport of ions. It is shown that depending on the ratio of the…
Bipolar nanofluidic diode is based on nanopore with positive and negative surface charges separated by a junction. This paper investigates the effects of the pore structure, taking the bullet-like pore as an example, on the ion current…
The sorption-desorption hysteresis observed in many nanoporous solids, at vapor pressures low enough for the the liquid (capillary) phase of the adsorbate to be absent, has long been vaguely attributed to changes in the nanopore structure,…
Nanopores made with low dimensional semiconducting materials, such as carbon nanotubes and graphene slit pores, are used in supercapacitors. In theories and simulations of their operation, it is often assumed that such pores screen ion-ion…
We present a theoretical model describing the current transient behavior observed during electrodeposition in an opal modified electrode. As a basic unit we consider a cylindrical vessel with a porous and corrugated surface, whose radius…
In this tutorial we discuss the chemical potential of ions in water (i.e., in a salt solution, in an electrolyte phase) and inside (charged) nanoporous materials such as porous membranes. In water treatment, such membranes are often used to…
Ion mobility and ionic conductance in nanodevices are known to deviate from bulk behavior, a phenomenon often attributed to surface effects. We demonstrate that dielectric mismatch between the electrolyte and the surface can qualitatively…
We demonstrate that a single sub-wavelength nanoaperture in a metallic thin film can be used to achieve dynamic optical trapping and control of a single dielectric nanowire. A nanoaperture can trap a nanowire, control its orientation when…
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…