Atomic structure and energetics of adsorbed water on the NaCl(001) surface (original) (raw)

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

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Ab Initio Simulations of Water/Metal Interfaces

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Dynamic Ion Pairs in the Adsorption of Isolated Water Molecules on Alkaline-Earth Oxide (001) Surfaces

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Surface Science, 2005

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Effect of confinement on the hydration and solubility of NaCl in water

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A jellium/point dipoles model for water adsorption on Ag(110)

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Interactions between mineral surfaces and dissolved species: From monovalent ions to complex organic molecules

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Atomistic simulation of ion solvation in water explains surface preference of halides

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Proceedings of the National Academy of Sciences, 2011

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Dynamics and Structure of Ionic Solutions and Polar Fluids

Jayendran Rasaiah

2002

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Electron binding energies of water clusters: Implications for the electronic properties of liquid water

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Chemical Physics Letters, 2006

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Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces

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Physical Review B, 2004

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Ionization and Solvation of CsCl Interacting with Solid Water

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The Journal of Physical Chemistry B, 2003

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Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport

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New Information on Water Interfacial Structure Revealed by Phase-Sensitive Surface Spectroscopy

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Physical Review Letters, 2005

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Macro Analysis of the Electro-Adsorption Process in Low Concentration NaCl Solutions for Water Desalination Applications

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Journal of The Electrochemical Society, 2013

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Ionic Adsorbate Structures on Metal Electrodes Calculated from First-Principles

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Industrial & Engineering Chemistry Research, 2016

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Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies

Sandeep Pal

ChemPhysChem, 2005

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Effect of Hydrophobic Interaction on Structure, Dynamics, and Reactivity of Water

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Langmuir, 2013

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Stability of Adsorbed Water on TiO2–TiN Interfaces. A First-Principles and Ab Initio Thermodynamics Investigation

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The Journal of Physical Chemistry C, 2018

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Benchmark First-Principles Calculations of Adsorbate Free Energies

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Studies of Interaction of Small Molecules with Water Condensed Media

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The effect of absorbed water on hydronium NASICON and Hyceram

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A new reactive potential for the molecular dynamics simulation of liquid water

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Chemical Physics Letters, 2007

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Molecular simulation of the adsorption of seawater salts on a negatively charged quartz surface

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2015

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Advances in Chemical Physics

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Advances in Chemical Physics, 2007

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Effect of pH on the Water/α-Al2O3 (11̅02) Interface Structure Studied by Sum-Frequency Vibrational Spectroscopy

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Ion Adsorption at the Rutile−Water Interface: Linking Molecular and Macroscopic Properties

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Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction

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Adsorption of ethylene on the Ag() surface

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Interaction of alkali atoms with water multilayers adsorbed on TiO2(110): a study with MIES and UPS

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