A molecular perspective of water at metal interfaces

Abstract

Water/solid interfaces are relevant to a broad range of physicochemical phenomena and technological processes such as corrosion, lubrication, heterogeneous catalysis and electrochemistry. Although many fields have contributed to rapid progress in the fundamental knowledge of water at interfaces, detailed molecular-level understanding of water/solid interfaces comes mainly from studies on flat metal substrates. These studies have recently shown that a remarkably rich variety of structures form at the interface between water and even seemingly simple flat surfaces. In this Review we discuss the most exciting work in this area, in particular the emerging physical insight and general concepts about how water binds to metal surfaces. We also provide a perspective on outstanding problems, challenges and open questions.

References in corpus (3)

• On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions
• To wet or not to wet? Dispersion forces tip the balance for water-ice on metals
• The molecular structure of the H2O wetting layer on Pt(111)

Cited by in corpus (22)

• Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
• Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
• The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity
• The role of van der Waals forces in water adsorption on metals
• Water Reaction Mechanism in Metal Organic Frameworks with Coordinatively Unsaturated Metal Ions: MOF-74
• Fast diffusion of water nanodroplets on graphene
• Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity
• Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite
• Solvent Induced Proton Hopping at a Water-Oxide Interface
• The Microscopic Features of Heterogeneous Ice Nucleation May Affect the Macroscopic Morphology of Atmospheric Ice Crystals
• Water on hexagonal boron nitride from diffusion Monte Carlo
• Electric Field and Humidity Trigger Contact Electrification
• Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model
• Amino acids and proteins at ZnO-water interfaces in molecular dynamics simulations
• The random phase approximation applied to ice
• Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature
• Toward Accurate Adsorption Energetics on Clay Surfaces
• Nanoscale heterogeneity at the aqueous electrolyte-electrode interface
• Ordered H2O Structures on a Weakly Interacting Surface, A Helium Diffraction Study of H2O/Au(111)
• Cluster Assisted Water Dissociation Mechanism in MOF-74 and Controlling it Using Helium
• Rapid water diffusion at cryogenic temperatures through an inchworm-like mechanism
• Deep vacancy induced low-density fluxional interfacial water