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Related Concept Videos

States of Water01:23

States of Water

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Water exists in any one of the three classical states: solid (ice), liquid (water), and gas (steam or water vapor). The state of water depends on i) the intermolecular forces that draw molecules together and ii) the kinetic energy that leads to movements that pull them apart.
Water freezes when the intermolecular forces are greater than the kinetic energy. Unlike most other substances, water is less dense in its solid state than in its liquid state. This is because each water molecule can form...
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Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility02:34

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

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Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
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Solubility Equilibria: Ionic Product of Water01:16

Solubility Equilibria: Ionic Product of Water

1.2K
Pure water is a weak electrolyte; only a small amount ionizes into hydrogen and hydroxide ions. At any given temperature, the concentration of undissociated water is almost constant, so the ionic product of water is the product of the hydrogen and hydroxide ion concentrations, denoted as Kw. The square root of Kw gives the individual ion concentrations.
The ionic product of water varies with temperature, and its value is 1.0 x 10−14 at standard experimental conditions. Per Le...
1.2K
Intermolecular Forces03:13

Intermolecular Forces

62.4K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
62.4K
pV-Diagrams01:18

pV-Diagrams

4.6K
The pV diagram, which is a graph of pressure versus volume of the gas under study, is helpful in describing certain aspects of the substance. When the substance behaves like an ideal gas, the ideal gas equation describes the relationship between its pressure and volume. On a pV diagram, it is common to plot an isotherm, which is a curve showing p as a function of V with the number of molecules and the temperature fixed. Then, for an ideal gas, the product of the pressure of the gas and its...
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Water: A Bronsted-Lowry Acid and Base02:30

Water: A Bronsted-Lowry Acid and Base

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The reaction between a Brønsted-Lowry acid and water is called acid ionization. For example, when hydrogen fluoride dissolves in water and ionizes, protons are transferred from hydrogen fluoride molecules to water molecules, yielding hydronium ions and fluoride ions:
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Is the water/Pt(111) interface ordered at room temperature?

August E G Mikkelsen1, Jakob Schiøtz2, Tejs Vegge1

  • 1Department of Energy Conversion and Storage, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark.

The Journal of Chemical Physics
|December 16, 2021
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Summary
This summary is machine-generated.

This study reveals the water/Platinum(111) interface structure using advanced simulations. A double-layer model with distinct water molecule arrangements explains the interface

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Area of Science:

  • Surface Science
  • Physical Chemistry
  • Computational Materials Science

Background:

  • The structure of the water/Platinum(111) interface remains a long-standing research question.
  • Understanding this interface is crucial for catalysis and electrochemical applications.

Purpose of the Study:

  • To elucidate the atomic-level structure of the water/Pt(111) interface at room temperature.
  • To investigate the dynamics and ordering of water molecules at this interface.
  • To provide insights beyond the limitations of traditional ab initio molecular dynamics.

Main Methods:

  • Room temperature molecular dynamics simulations.
  • Utilization of accurate neural network potentials for long time-scale simulations.
  • Analysis of interfacial water structure and molecule ordering.

Main Results:

  • Identification of a double-layer water structure at the water/Pt(111) interface.
  • Characterization of a primary adsorption layer (∼0.15 ML) and a secondary layer (∼0.58 ML).
  • Observation of effective repulsion and semi-ordered, dynamically changing structure in the primary layer, with extensive hydrogen bonding to the secondary layer.

Conclusions:

  • The water/Pt(111) interface exhibits a complex double-layer structure with specific water molecule arrangements.
  • Neural network potentials enable the study of interfacial dynamics over time scales inaccessible to standard ab initio methods.
  • The findings offer a refined understanding of water behavior at metal surfaces.