Local order of liquid water at metallic electrode surfaces

Characterizing heterogeneous dynamics at hydrated electrode surfaces

(2013) Adam P. Willard et al.   JOURNAL OF CHEMICAL PHYSICS

Room temperature compressibility and diffusivity of liquid water from first principles

(2013) Fabiano Corsetti et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2013) Javier Carrasco et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Fluctuations in Nanoscale Capacitors

(2013) David T. Limmer et al.   PHYSICAL REVIEW LETTERS

Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

(2013) David T. Limmer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An ab initio study of surface electrochemical disproportionation: The case of a water monolayer adsorbed on a Pd(111) surface

(2012) Jean-Sébastien Filhol et al.   CATALYSIS TODAY

Influence of water on the work function of certain metals

(2012) Francesco Musumeci et al.   CHEMICAL PHYSICS LETTERS

Effect of dispersion correction on the Au(1 1 1)-H2O interface: A first-principles study

(2012) Roger Nadler et al.   JOURNAL OF CHEMICAL PHYSICS

A Computationally Efficient Treatment of Polarizable Electrochemical Cells Held at a Constant Potential

(2012) Matt K. Petersen et al.   Journal of Physical Chemistry C

Strain relief and disorder in commensurate water layers formed on Pd(111)

(2012) F McBride et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hybrid molecular dynamics and first-principles study on the work function of a Pt(111) electrode immersed in aqueous solution at room temperature

(2012) Sai Duan et al.   PHYSICAL REVIEW B

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge

(2012) Kendra Letchworth-Weaver et al.   PHYSICAL REVIEW B

Density, structure, and dynamics of water: The effect of van der Waals interactions

(2011) Jue Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalous Wetting Layer at the Au(111) Surface

(2011) G. Cicero et al.   Journal of Physical Chemistry Letters

Standard hydrogen electrode and potential of zero charge in density functional calculations

(2011) Vladimir Tripkovic et al.   PHYSICAL REVIEW B

To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals

(2011) Javier Carrasco et al.   PHYSICAL REVIEW LETTERS

Hydrogen Oxidation Reaction at theNi/YSZAnode of Solid Oxide Fuel Cells from First Principles

(2011) Clotilde S. Cucinotta et al.   PHYSICAL REVIEW LETTERS

The role of hydrogen bonding in water–metal interactions

(2010) Adrien Poissier et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces

(2009) Slawomir Braun et al.   ADVANCED MATERIALS

Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces

(2009) Javier Carrasco et al.   JOURNAL OF CHEMICAL PHYSICS

Metal- and Hydrogen-Bonding Competition during Water Adsorption on Pd(111) and Ru(0001)

(2009) Mous Tatarkhanov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Water adsorption and the wetting of metal surfaces

(2009) A. Hodgson et al.   SURFACE SCIENCE REPORTS

The Interface Energetics of Self-Assembled Monolayers on Metals

(2008) Georg Heimel et al.   ACCOUNTS OF CHEMICAL RESEARCH

Water Confined in Nanotubes and between Graphene Sheets:  A First Principle Study

(2008) Giancarlo Cicero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY