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Related Concept Videos

Electron Affinity03:07

Electron Affinity

The electron affinity (EA) is the energy change for adding an electron to a gaseous atom to form an anion (negative ion).
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Ions and Ionic Charges

In ordinary chemical reactions, the nucleus — which contains the protons and neutrons of each atom and thus identifies the element — remains unchanged. Electrons, however, can be added to atoms by transfer from other atoms, lost by transfer to other atoms, or shared with other atoms. The transfer and sharing of electrons among atoms govern the chemistry of the elements. During the formation of some compounds, atoms gain or lose electrons to form electrically charged particles called ions.
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Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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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.
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To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

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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...

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Reductive Electropolymerization of a Vinyl-containing Poly-pyridyl Complex on Glassy Carbon and Fluorine-doped Tin Oxide Electrodes
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Electron-trapping polycrystalline materials with negative electron affinity.

Keith P McKenna1, Alexander L Shluger

  • 1Department of Physics and Astronomy and The London Centre for Nanotechnology, University College London, Gower Street, London, WC1E 6BT, UK. k.mckenna@ucl.ac.uk

Nature Materials
|October 14, 2008
PubMed
Summary
This summary is machine-generated.

Researchers discovered a new electron trapping mechanism at grain boundaries in ionic materials like MgO, LiF, and NaCl. This unusual trapping occurs within dislocation cores due to negative electron affinity, impacting material properties.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Electron trapping at grain boundaries is crucial for semiconductors and insulators, affecting applications like sensors, solar cells, and geological phenomena.
  • Highly ionic materials, such as alkaline earth metal oxides and alkali halides, have been understudied regarding their grain boundary electron trapping properties.
  • Existing knowledge lacks detailed understanding of electron trapping mechanisms in abundant, environmentally relevant ionic materials.

Purpose of the Study:

  • To investigate and characterize a novel type of electron trapping at grain boundaries in ionic materials.
  • To explore the fundamental mechanisms behind electron confinement within grain boundaries of materials like MgO, LiF, and NaCl.
  • To provide first-principles insights into the role of negative electron affinity in electron trapping phenomena.

Main Methods:

  • Utilized first-principles calculations to simulate and analyze electron trapping at grain boundaries.
  • Focused computational studies on representative ionic materials: magnesium oxide (MgO), lithium fluoride (LiF), and sodium chloride (NaCl).
  • Investigated the electronic structure and spatial distribution of trapped electrons within grain boundary dislocation cores.

Main Results:

  • Demonstrated a qualitatively new mechanism of electron trapping at grain boundaries in the studied ionic materials.
  • Identified that this trapping is intrinsically linked to the negative electron affinity characteristic of these materials.
  • Observed that electrons are unusually confined within the empty spaces present inside the dislocation cores of the grain boundaries.

Conclusions:

  • A novel electron trapping mechanism at grain boundaries, driven by negative electron affinity and occurring in dislocation core voids, has been identified in ionic materials.
  • This finding expands the understanding of charge carrier behavior in technologically relevant electroceramics and geological materials.
  • The results necessitate further experimental and theoretical investigation into the implications of this trapping mechanism for material performance and reliability.