Unique water-water coordination tailored by a metal surface

Abstract

(2006)]. Using x-ray absorption spectroscopy we find an anomalous lowenergy resonance at ∼533.1 eV which, based on density functional theory spectrum simulations, we assign to an unexpected configuration of water units whose uncoordinated O-H bonds directly face those of their neighbors; this interaction repeats over trough sites with enhanced electron density and is analogous to the case of a hydrated electron. © 2013 AIP Publishing LLC.

Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt201 Immersed in Water

“…Although the effect of the support on the activity of those NPs has been investigated in theory, the role of the solvent is rarely examined . In fact, the experimental detection of the small number of water molecules at liquid/particle interfaces is difficult, which is why model interfaces at single‐crystal metal surfaces are typically studied …”