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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...
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
Ionic Crystal Structures02:42

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Atomic Number and Mass Number01:12

Atomic Number and Mass Number

The number of protons in the nucleus of an atom is its atomic number (Z). This is the defining trait of an element. Its value determines the identity of the atom. For example, any atom that contains six protons is the element carbon and has the atomic number 6, regardless of how many neutrons or electrons it may have. A neutral atom must contain the same number of positive and negative charges, so the number of protons equals the number of electrons. This means that the atomic number also...
Aromatic Hydrocarbon Anions: Structural Overview01:18

Aromatic Hydrocarbon Anions: Structural Overview

Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous overlap of p...

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Related Experiment Video

Updated: Jun 3, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Anionic and hidden hydrogen in ZnO.

Mao-Hua Du1, Koushik Biswas

  • 1Materials Science and Technology Division and Center for Radiation Detection Materials and Systems, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

Physical Review Letters
|April 8, 2011
PubMed
Summary
This summary is machine-generated.

Hidden hydrogen in zinc oxide (ZnO) is explained by H(2) molecules trapped in oxygen vacancies. This trapping mechanism, along with surface hydrogen accumulation, clarifies experimental findings and persistent photoconductivity in ZnO.

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Fabrication of Schottky Diodes on Zn-polar BeMgZnO/ZnO Heterostructure Grown by Plasma-assisted Molecular Beam Epitaxy
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Fabrication of Schottky Diodes on Zn-polar BeMgZnO/ZnO Heterostructure Grown by Plasma-assisted Molecular Beam Epitaxy

Published on: October 23, 2018

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Last Updated: Jun 3, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Fabrication of Schottky Diodes on Zn-polar BeMgZnO/ZnO Heterostructure Grown by Plasma-assisted Molecular Beam Epitaxy
14:16

Fabrication of Schottky Diodes on Zn-polar BeMgZnO/ZnO Heterostructure Grown by Plasma-assisted Molecular Beam Epitaxy

Published on: October 23, 2018

Area of Science:

  • Materials Science
  • Solid State Physics
  • Computational Chemistry

Background:

  • Hydrogen incorporation in ZnO is complex, leading to experimental observations of "hidden" hydrogen.
  • Understanding hydrogen's behavior is crucial for ZnO's electronic and optical properties.

Purpose of the Study:

  • To investigate the energetics and kinetics of hydrogen in ZnO using first-principles calculations.
  • To elucidate the role of interstitial H(2) and H(2) within oxygen vacancies in "hidden" hydrogen formation.

Main Methods:

  • First-principles density functional theory (DFT) calculations were employed.
  • Energetics and kinetic pathways for hydrogen species (H(-) anion, H(2) molecule) were studied.
  • The behavior of hydrogen at interstitial sites and within oxygen vacancies was analyzed.

Main Results:

  • The H(2) molecule kinetically trapped in an oxygen vacancy, not interstitial H(2), explains experimental observations of "hidden" hydrogen.
  • Accumulation of shallow donors, particularly substitutional H, near the ZnO surface is key.
  • This surface accumulation contributes to "hidden" hydrogen formation in the ZnO bulk.

Conclusions:

  • The kinetic trapping of H(2) in oxygen vacancies provides a unified explanation for "hidden" hydrogen in ZnO.
  • Substitutional hydrogen near the surface plays a critical role in bulk hydrogen behavior.
  • These findings offer insights into persistent photoconductivity in ZnO.