Related papers: Interfacial ordering and accompanying divergent ca…
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…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capacitor exhibits an anomalous dependence on the applied…
Liquid electrolytes adsorbed at the surface of metallic electrodes display a multitude of structures that can largely differ from the parent bulk system, both in terms of composition and local organization. In particular, the existence of…
The Bragg-Williams free energy is used to incorporate nearest-neighbor interactions into the lattice gas model of a solvent-free ionic liquid near a planar electrode. We calculate the differential capacitance from solutions of the…
In this article we calculate the surface phase diagram of a two-dimensional hard-rod fluid confined between two hard lines. In a first stage we study the semi-infinite system consisting of an isotropic fluid in contact with a single hard…
We present Monte Carlo simulations of surface induced disordering in a model of a binary alloy on a bcc lattice which undergoes a first order bulk transition from the ordered DO3 phase to the disordered A2 phase. The data are analyzed in…
Control of order-disorder phase transitions is a fundamental materials science challenge, underpinning the development of energy storage technologies such as solid oxide fuel cells and batteries, ultra-high temperature ceramics, and durable…
A 3D layered system of charges with logarithmic interaction parallel to the layers and random dipoles is studied via a novel variational method and an energy rationale which reproduce the known phase diagram for a single layer. Increasing…
A layered system of charges with logarithmic interaction parallel to the layers and random dipoles in each layer is studied via a variational method and an energy rationale. These methods reproduce the known phase diagram for a single layer…
Interfacial superconductivity is observed in a variety of heterostructures composed of different materials including superconducting and nonsuperconducting (at appropriate doping and temperatures) cuprates and iron-based pnictides. The…
Charge layering in the close vicinity of charged interfaces is a well known effect, extensively reported in both experiments and simulations of Room Temperature Ionic Liquids (RTIL) and concentrated aqueous-like electrolytes. The…
The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…
In systems displaying a bulk first-order transition the order parameter may vanish continuously at a free surface, a phenomenon which is called surface-induced disorder. In the presence of surface-induced disorder the correlation lengths,…
The fundamental idea that the constituents of interacting many body systems in complex quantum materials may self-organise into long range order under highly non-equilibrium conditions leads to the notion that entirely new and unexpected…
Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a…
For heterostructures of ultrathin, strongly correlated copper-oxide films and dielectric perovskite layers, we predict inhomogeneous electronic interface states. Our study is based on an extended Hubbard model for the cuprate film. The…
We present in this paper an exact study concerning a first order transition induced by an inhomogeneous boundary magnetic field in the 2D Ising model. From a previous analysis of the interfacial free energy in the discrete case (J. Phys. A,…
A generalization of the mean-field approach will be derived that will take into account the ion-ion as well as ion-surface non-electrostatic effects on an equal footing, being based on the bulk and surface equations of state in the absence…
A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic…