Related papers: Interfacial ordering and accompanying divergent ca…
We present a new analytical approach to the strong electrostatic coupling regime (SC), that can be achieved equivalently at low temperatures, high charges, low dielectric permittivity etc. Two geometries are analyzed in detail: one charged…
Anions generally associate more favorably with the air-water interface than cations. In addition to solute size and polarizability, the intrinsic structure of the unperturbed interface has been discussed as an important contributor to this…
We study the structure and dynamics of liquid water in contact with Pd and Au (111) surfaces using \emph{ab initio} molecular dynamics simulations with and without van der Waals interactions. Our results show that the structure of water at…
When solid surfaces are immersed in aqueous solutions, some of their charges can dissociate and leave behind charge patches on the surface. Although the charges are distributed heterogeneously on the surface, most of the theoretical models…
The capacitance of the double layer formed at a metal/ionic-conductor interface can be remarkably large, so that the apparent width of the double layer is as small as 0.3 \AA. Mean-field theories fail to explain such large capacitance. We…
We study A-B reaction kinetics at a fixed interface separating A and B bulks. Initially, the number of reactions ${\cal R}_t \sim t n_A^\infty n_B^\infty$ is 2nd order in the far-field densities $n_A^\infty,n_B^\infty$. First order…
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion battery electrodes. In this letter, we use a combination of first-principles…
The influence of randomly distributed point impurities \emph{and} planar defects on the order and transport in type-II superconductors and related systems is considered theoretically. For planar defects of identical orientation the flux…
We show that phase transitions in Ising systems with planar defects, i.e., disorder perfectly correlated in two dimensions are destroyed by smearing. This is caused by effects similar to but stronger than the Griffiths phenomena:…
In the Mott insulating phase of the transition metal oxides, the effective orbital-orbital interaction is directional both in the orbital space and in the real space. We discuss a classical realization of directional coupling in two…
Effect of ionic solute on a near-critical binary aqueous mixture confined between charged walls with different adsorption preferences is considered within a simple density functional theory. For the near-critical system containing small…
The shape of 3$d$-orbitals often governs the electronic and magnetic properties of correlated transition metal oxides. In the superconducting cuprates, the planar confinement of the $d_{x^2-y^2}$ orbital dictates the two-dimensional nature…
We use Monte Carlo simulations to examine the simplest model of an ionic liquid, called the restricted primitive model, at a metal surface. We find that at moderately low temperatures the capacitance of the metal/ionic liquid interface is…
In this work the role that charge delocalization plays in the non-linear optical response of ionic liquids is evaluated. The first hyperpolarizability for the non-linear process of second harmonic generation (SHG) and second…
One of the most distinctive hallmarks of many-body systems far from equilibrium is the spontaneous emergence of order under conditions where disorder would be plausibly expected. Here, we report on the self-transition between ordered and…
We study, using Density Functional theory and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in a contact with a bulk salt reservoir. In agreement with recent experimental observations [Z.…
We analyse the effect of quenched uncorrelated randomness coupling to the local energy density of a model consisting of N coupled two-dimensional Ising models. For N>2 the pure model exhibits a fluctuation-driven first order transition,…
Cation-disordered solids offer a rich chemical landscape where local coordination, lattice responses, and configurational disorder collectively, yet often implicitly, govern ion transport. In cation-disordered rocksalt oxides, Li+ diffusion…
Even as the understanding of the mechanism behind correlated insulating states in magic-angle twisted bilayer graphene converges towards various kinds of spontaneous symmetry breaking, the metallic "normal state" above the insulating…
Simulation and experimental studies have demonstrated non-equilibrium ordering in driven colloidal suspensions: with increasing driving force, a uniform colloidal mixture transforms into a locally demixed state characterized by the lane…