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Hydrogen Bonds

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 Bonds

Hydrogen Bonds

Hydrogen 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 unequally shared.

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Updated: May 31, 2026

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

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

Published on: March 29, 2016

Probing hydrogen interactions with amorphous metals using first-principles calculations.

Shiqiang Hao¹, M Widom, David S Sholl

¹Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA. National Energy Technology Laboratory, Pittsburgh, PA 15236, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|June 23, 2011

Summary

This summary is machine-generated.

This study reveals how hydrogen (H2) interacts with amorphous metals, crucial for H2 purification and storage. Hydrogen solubility in amorphous Fe3B differs significantly from crystalline forms, offering new insights for membrane design.

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Last Updated: May 31, 2026

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

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Published on: March 29, 2016

Hydrogen Charging of Aluminum using Friction in Water

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Published on: January 28, 2020

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

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
Computational Materials Science
Physical Chemistry

Background:

Amorphous metals show promise for hydrogen (H2) purification membranes and H2 storage applications.
Understanding hydrogen behavior in these materials is key to optimizing their performance.

Purpose of the Study:

To develop a general computational strategy for predicting interstitial hydrogen properties in amorphous metals.
To quantitatively investigate hydrogen solubility in amorphous Fe3B and compare it with its crystalline counterpart.

Main Methods:

Combined density functional theory (DFT) and statistical mechanics.
Systematic investigation of hydrogen solubility in amorphous Fe3B.
Comparative analysis with crystalline Fe3B.

Main Results:

Hydrogen-hydrogen interactions significantly influence net solubility in amorphous metals.
Hydrogen solubility in amorphous Fe3B differs by orders of magnitude compared to crystalline Fe3B.
Atomic-level insights into hydrogen behavior in amorphous metals were obtained.

Conclusions:

The developed computational strategy accurately predicts hydrogen properties in amorphous metals.
Amorphous Fe3B exhibits distinct hydrogen solubility characteristics compared to crystalline Fe3B, relevant for H2 purification membranes.
This work provides unprecedented atomic-level understanding for designing advanced hydrogen technologies.