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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

Imperfections in Crystal Structure: Non-Stoichiometric Defects

Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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Related Experiment Video

Updated: Jun 19, 2026

Hydrogen Charging of Aluminum using Friction in Water
07:50

Hydrogen Charging of Aluminum using Friction in Water

Published on: January 28, 2020

Hydrogen-vacancy interactions in Fe-C alloys.

Paul R Monasterio1, Timothy T Lau, Sidney Yip

  • 1Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.

Physical Review Letters
|October 2, 2009
PubMed
Summary

Hydrogen accumulation in iron-carbon alloys depends on comparable hydrogen and vacancy concentrations. This study reveals significant vacancy-hydrogen point defect clusters (PDCs) form even at low hydrogen levels.

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Last Updated: Jun 19, 2026

Hydrogen Charging of Aluminum using Friction in Water
07:50

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Published on: January 28, 2020

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Materials Science

Background:

  • Point defect clusters (PDCs) significantly influence material properties.
  • Understanding hydrogen behavior in iron-carbon (Fe-C) alloys is crucial for various industrial applications.
  • The formation and stability of PDCs in Fe-C-H systems are complex and not fully understood.

Purpose of the Study:

  • To calculate the energetics and concentrations of hydrogen-containing PDCs in Fe-C alloys.
  • To construct a point defect cluster dominance diagram for Fe-C-H systems.
  • To elucidate the mechanisms governing hydrogen accumulation and PDC formation.

Main Methods:

  • First-principles calculations were employed to determine the energetics of various PDCs.
  • Thermodynamic modeling was used to establish the PDC dominance diagram.
  • Analysis of binding energies and interactions between vacancies, carbon, and hydrogen.

Main Results:

  • The stability of hydrogen-containing PDCs is strongly influenced by iron vacancies.
  • Hydrogen accumulation necessitates comparable total hydrogen and vacancy concentrations.
  • PDC populations in Fe-C-H systems decouple into Fe-C and Fe-H binary systems due to binding interactions.
  • Significant vacancy-hydrogen PDC populations are observed even at low total hydrogen concentrations.

Conclusions:

  • Iron vacancies play a critical role in stabilizing hydrogen-containing PDCs.
  • The Fe-C-H system exhibits complex binding processes leading to decoupling into binary systems.
  • The findings provide insights into hydrogen embrittlement mechanisms and material design in Fe-C alloys.