Ab initio simulations of water/metal interfaces

A Groß, S Sakong - Chemical reviews, 2022 - ACS Publications
Structures and processes at water/metal interfaces play an important technological role in
electrochemical energy conversion and storage, photoconversion, sensors, and corrosion …

A molecular perspective of water at metal interfaces

J Carrasco, A Hodgson, A Michaelides - Nature materials, 2012 - nature.com
Water/solid interfaces are relevant to a broad range of physicochemical phenomena and
technological processes such as corrosion, lubrication, heterogeneous catalysis and …

Investigation of solid/vapor interfaces using ambient pressure X-ray photoelectron spectroscopy

DE Starr, Z Liu, M Hävecker, A Knop-Gericke… - Chemical Society …, 2013 - pubs.rsc.org
Heterogeneous chemical reactions at vapor/solid interfaces play an important role in many
processes in the environment and technology. Ambient pressure X-ray photoelectron …

Water adsorption and the wetting of metal surfaces

A Hodgson, S Haq - Surface science reports, 2009 - Elsevier
Water adsorption at metal surfaces is governed by a subtle balance between water–water
hydrogen bonding and water–metal interactions, which together determine the stability of …

Structural motifs of water on metal oxide surfaces

R Mu, Z Zhao, Z Dohnálek, J Gong - Chemical Society Reviews, 2017 - pubs.rsc.org
Understanding water/solid interactions is of great importance in a variety of fundamental and
technological processes, such as photocatalytic water splitting, heterogeneous catalysis …

In situ x-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions

S Yamamoto, H Bluhm, K Andersson… - Journal of Physics …, 2008 - iopscience.iop.org
X-ray photoelectron spectroscopy (XPS) is a powerful tool for surface and interface analysis,
providing the elemental composition of surfaces and the local chemical environment of …

Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

SK Natarajan, J Behler - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
Solid–liquid interfaces have received considerable attention in recent years due to their
central role in many technologically relevant fields like electrochemistry, heterogeneous …

Ice nanoclusters at hydrophobic metal surfaces

A Michaelides, K Morgenstern - Nature materials, 2007 - nature.com
Studies of the structure of supported water clusters provide a means for obtaining a rigorous
molecular-scale description of the initial stages of heterogeneous ice nucleation: a process …

The role of van der Waals forces in water adsorption on metals

J Carrasco, J Klimeš, A Michaelides - The Journal of chemical physics, 2013 - pubs.aip.org
The interaction of water molecules with metal surfaces is typically weak and as a result van
der Waals (vdW) forces can be expected to be of importance. Here we account for the …

Ultrahigh-resolution imaging of water networks by atomic force microscopy

A Shiotari, Y Sugimoto - Nature communications, 2017 - nature.com
Local defects in water layers growing on metal surfaces have a key influence on the wetting
process at the surfaces; however, such minor structures are undetectable by macroscopic …