Water at interfaces

O Björneholm, MH Hansen, A Hodgson… - Chemical …, 2016 - ACS Publications
The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

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 …

The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy

JJ Velasco-Velez, CH Wu, TA Pascal, LF Wan, J Guo… - Science, 2014 - science.org
The molecular structure of the electrical double layer determines the chemistry in all
electrochemical processes. Using x-ray absorption spectroscopy (XAS), we probed the …

Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

DT Limmer, AP Willard, P Madden… - Proceedings of the …, 2013 - National Acad Sciences
We have applied molecular dynamics and methods of importance sampling to study
structure and dynamics of liquid water in contact with metal surfaces. The specific surfaces …

Identification of a common ice nucleus on hydrophilic and hydrophobic close-packed metal surfaces

P Chen, Q Xu, Z Ding, Q Chen, J Xu, Z Cheng… - Nature …, 2023 - nature.com
Establishing a general model of heterogeneous ice nucleation has long been challenging
because of the surface water structures found on different substrates. Identifying common …

How does water wet a surface?

S Maier, M Salmeron - Accounts of chemical research, 2015 - ACS Publications
Conspectus The adsorption and reactions of water on surfaces has attracted great interest,
as water is involved in many physical and chemical processes at interfaces. On metal …

Effect of the nature of carbon support on the formation of active sites in Pd/C and Ru/C catalysts for hydrogenation of furfural

RM Mironenko, OB Belskaya, TI Gulyaeva, AI Nizovskii… - Catalysis Today, 2015 - Elsevier
The study considered the formation and catalytic properties of the active sites in Pd/C and
Ru/C catalysts supported on carbon nanotubes (CNT) and carbon black (CB). The nature of …

Solvent–adsorbate interactions and adsorbate-specific solvent structure in carbon dioxide reduction on a stepped Cu surface

T Ludwig, JA Gauthier, KS Brown, S Ringe… - The Journal of …, 2019 - ACS Publications
In this work, the structure of water and its interactions with various carbon dioxide reduction
intermediates adsorbed on a Cu (211) surface is investigated using density functional …

Growth and structure of the first layers of ice on Ru (0001) and Pt (111)

S Maier, BAJ Lechner, GA Somorjai… - Journal of the American …, 2016 - ACS Publications
Scanning tunneling microscopy was used to probe the structure and growth of the first few
layers of water on Ru (0001) and Pt (111) at the molecular level. The surface-bound first …

High-throughput screening of small-molecule adsorption in MOF

P Canepa, CA Arter, EM Conwill… - Journal of Materials …, 2013 - pubs.rsc.org
Using high-throughput screening coupled with state-of-the-art van der Waals density
functional theory, we investigate the adsorption properties of four important molecules, H2 …