The influence of image interactions on the structure of water and electrolytes in front of a metal surface

Abstract

Structure of the metal-aqueous electrolyte solution interface

A Singlet Reference Interation Site Model Theory for Solid/Liquid Interfaces Part II: Electrical Double Layers

“…With respect to the solvent-induced oscillatory behavior of the SRISM counterion density profiles, it is worth mentioning that such layering effects have not only been observed in alternative double layer theories involving dipolar − or multipolar − hard sphere water models or the central force water model − as solvent, but surprisingly occur in macroscopic−thermodynamic continuum models as well if both the finite volumes of ions and water and the dielectric saturation of the latter are taken into account. − …”

“…With respect to the solvent-induced oscillatory behavior of the SRISM counterion density profiles, it is worth mentioning that such layering effects have not only been observed in alternative double layer theories involving dipolar [25][26][27][28][29][30][31][32][33][34][35] or multipolar [36][37][38][39] hard sphere water models or the central force water model [40][41][42][43] as solvent, but surprisingly occur in macroscopic-thermodynamic continuum models as well if both the finite volumes of ions and water and the dielectric saturation of the latter are taken into account. [44][45][46] The corresponding SRISM/KH (left panel) and SRISM/HNC (right panel) coion density profiles for cations at cathodes (dashed lines), anions at anodes (dashed-dotted lines), and the corresponding SOZ results (solid lines) are shown in Figure 6.…”

Structure of the vortex liquid at the surface of a layered superconductor

“…In the present work we will compute the inhomogeneous density distribution of the vortices in front of a planar surface using the Wertheim-Lovett-Mou-Buff (WLMB) equation [7] together with a mean-field treatment of the image-forces. [8] The same method has recently successfully been applied in a different context, namely the structure of liquid water at a metallic interface [9]. From the equilibrium vortex-density profiles at the surface we calculate the local magnetic field which together with the image interactions determines the potential energy barrier [10] for pan-cake vortices entering into the sample.…”

Electrochemical reactions at the electrode/solution interface: Theory and applications to water electrolysis and oxygen reduction

“…The electrode/solution interface phenomena have been a hot subject of theoretical simulations, to which various theoretical approaches based on classical mechanics have been applied, such as Canonical Monte Carlo [33,34], Wertheim-Lovett-Mou-Buff (WLMB) integral equation [35,36], modified Poisson-Boltzmann [37][38][39], and molecular dynamics [40,41]. Using these approaches, some features of the electrode/solution interface, such as the dynamic ordering of the interfacial water [41,42] and the structure of the electrochemical double layer, [33] have been elucidated.…”