Differential Capacitance of Ionic Liquid Confined between Metallic Interfaces.

We present here a detailed analysis of the electric double layer at the gold electrode/[BMIM][BF] interface using a polarizable model for the electrode, based on our recent approach to include image charges [Geada et al. 716]. A double bell (camel) shape is obtained for the differential capacitance, where the inclusion of metal polarization allows for a higher density of ions in the double layer, particularly around the maxima, thereby increasing the capacitance.

Molecular dynamics simulations of electrified interfaces including the metal polarisation.

Understanding electrified interfaces requires an accurate description of the electric double layer which also takes into account the metal polarisation. Here we present a simple approach to the molecular dynamics simulation of electrified interfaces which combines fixed charges and a core-shell model for the description of the polarisable electron density on the metal electrode. The approach has been applied to the Au(111) surface in contact with a NaCl aqueous electrolyte solution in order to calculate the differential capacitance and to gain a detailed picture of the charging mechanism.

Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement.

It has been shown that a weak shear can induce crystallisation in a disordered, glassy state. In this study, we use molecular dynamics simulations in order to investigate the out-of-equilibrium properties of [BMIM][BF] confined between metal slabs. In particular, we want to understand the extent to which the shear flow modifies the interfacial properties.

Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: a combined experimental and simulation study.

The use of biomolecules as capping and reducing agents in the synthesis of metallic nanoparticles constitutes a promising framework to achieve desired functional properties with minimal toxicity. The system's complexity and the large number of variables involved represent a challenge for theoretical and experimental investigations aiming at devising precise synthesis protocols. In this work, we use L-asparagine (Asn), an amino acid building block of large biomolecular systems, to synthesise gold nanoparticles (AuNPs) in aqueous solution at controlled pH.

Role of image charges in ionic liquid confined between metallic interfaces.

The peculiar properties of ionic liquids in confinement have not only become essential for energy storage, catalysis and tribology, but still pose fundamental questions. Recently, an anomalous liquid-solid phase transition has been observed in atomic force microscopy experiments for 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF]), the transition being more pronounced for metallic surfaces. Image charges have been suggested as the key element driving the anomalous freezing.