4.6 Article

Water Structures at Metal Electrodes Studied by Ab Initio Molecular Dynamics Simulations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Equilibrium coverage of halides on metal electrodes

Florian Gossenberger et al.

SURFACE SCIENCE (2015)

Article Chemistry, Applied

Structure of water layers on hydrogen-covered Pt electrodes

Tanglaw Roman et al.

CATALYSIS TODAY (2013)

Article Materials Science, Multidisciplinary

Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper

Matthew Fishman et al.

PHYSICAL REVIEW B (2013)

Article Chemistry, Physical

First-principles study of the water structure on flat and stepped gold surfaces

Xiaohang Lin et al.

SURFACE SCIENCE (2012)

Article Chemistry, Applied

Challenges in the first-principles description of reactions in electrocatalysis

Sebastian Schnur et al.

CATALYSIS TODAY (2011)

Article Chemistry, Physical

Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals

Cui Zhang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

Structure and electrocompression of chloride adlayers on Cu(111)

Y. Gruender et al.

SURFACE SCIENCE (2011)

Article Chemistry, Physical

Vibration spectroscopy of water on stepped gold surfaces

Harald Ibach

SURFACE SCIENCE (2010)

Article Chemistry, Physical

Interfacial water: A first principles molecular dynamics study of a nanoscale water film on salt

Li-Min Liu et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Physics, Multidisciplinary

Properties of metal-water interfaces studied from first principles

Sebastian Schnur et al.

NEW JOURNAL OF PHYSICS (2009)

Review Chemistry, Physical

Water adsorption and the wetting of metal surfaces

A. Hodgson et al.

SURFACE SCIENCE REPORTS (2009)

Article Chemistry, Physical

The role of anions in surface electrochemistry

D. V. Tripkovic et al.

FARADAY DISCUSSIONS (2008)

Article Chemistry, Physical

Structure of the water/platinum interface - a first principles simulation under bias potential

Minoru Otani et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Physics, Multidisciplinary

Hydrogen dissociation dynamics on precovered Pd surfaces: Langmuir is still right

Axel Gross et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Physical

Charge control of the water monolayer/Pd interface

J.-S. Filhol et al.

CHEMICAL PHYSICS LETTERS (2007)

Article Multidisciplinary Sciences

Predictions of the properties of water from first principles

Robert Bukowski et al.

SCIENCE (2007)

Article Materials Science, Multidisciplinary

Density functional theory simulations of water-metal interfaces: waltzing waters, a novel 2D ice phase, and more

A. Michaelides

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2006)

Article Chemistry, Physical

Water bilayer on the Pd/Au(111) overlayer system: Coadsorption and electric field effects

A Roudgar et al.

CHEMICAL PHYSICS LETTERS (2005)

Article Physics, Multidisciplinary

Hot-atom O2 dissociation and oxide nucleation on Al(111) -: art. no. 176104

LC Ciacchi et al.

PHYSICAL REVIEW LETTERS (2004)

Article Chemistry, Physical

Network equilibration and first-principles liquid water

MV Fernández-Serra et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Analytical

Uniaxial compression of iodide adlayers on Cu(111) studied under electrochemical conditions

B Obliers et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2003)

Review Chemistry, Multidisciplinary

The role and perspective of a initio molecular dynamics in the study of biological systems

P Carloni et al.

ACCOUNTS OF CHEMICAL RESEARCH (2002)

Review Chemistry, Multidisciplinary

Ordered anion adlayers on metal electrode surfaces

OM Magnussen

CHEMICAL REVIEWS (2002)

Article Chemistry, Physical

Ab initio molecular dynamics simulation of the Ag(111)-water interface

S Izvekov et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

The first layers of water on Ru(001)

Y Lilach et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2001)

Article Chemistry, Physical

Ab initio molecular dynamics simulation of the Cu(110)-water interface

S Izvekov et al.

JOURNAL OF CHEMICAL PHYSICS (2001)