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Related Concept Videos

Polymers02:34

Polymers

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The word polymer is derived from the Greek words “poly” which means “many” and “mer” which means “parts”. Polymers are long chains of molecules composed of repeating units of smaller molecules, known as monomers. They either occur naturally, such as DNA and proteins, or can be constructed synthetically, like plastics. They have varied structural characteristics, such as linear chains, branched chains, or complex networks, that contribute to the...
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The shape of a small drop of liquid can be considered spherical, neglecting the effect of gravity. This drop can further be considered as two equal hemispherical drops put together due to surface tension. The forces acting on the spherical drop are due to the pressure of the liquid inside the drop, the pressure due to air outside the drop, and the force due to the surface tension acting on the two hemispherical drops.
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Electron Carriers

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Electron carriers can be thought of as electron shuttles. These compounds can easily accept electrons (i.e., be reduced) or lose them (i.e., be oxidized). They play an essential role in energy production because cellular respiration is contingent on the flow of electrons.
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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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Overview
Electrons are negatively charged subatomic particles that are attracted to an orbit around the positively-charged nucleus of an atom. They reside in locations that are associated with energy levels called shells and are further organized into sub-shells and orbitals within each shell.
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Updated: Feb 3, 2026

Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites
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Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites

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The excess electron in polymer nanocomposites.

Fernan Saiz1, Nick Quirke

  • 1Department of Chemistry, Imperial College, London, UK. n.quirke@ic.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|October 30, 2018
PubMed
Summary

Excess electrons in polymer nanocomposites are influenced by moisture. Water presence significantly lowers electron trapping energies and increases mobility, especially compared to dry materials.

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Physical Chemistry

Background:

  • Polymer nanocomposites are crucial in various applications.
  • Understanding electron behavior at interfaces is key for material performance.
  • Surface chemistry and moisture significantly impact charge transport.

Purpose of the Study:

  • To investigate the energy and localization of excess electrons at polymer nanocomposite interfaces.
  • To model interfaces combining polyethylene, silica, and water.
  • To assess the influence of silica surface chemistry and moisture on electron behavior.

Main Methods:

  • Utilized ab initio molecular dynamics and density-functional theory (DFT) calculations.
  • Employed B3LYP/6-31G** level of theory for simulations.

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  • Modeled interfaces of liquid water with amorphous polyethylene and silica slabs.

    • Main Results:

    • Excess electrons in dry silica/polyethylene systems exhibited interface energies from -1.75 eV to -0.99 eV, dependent on silica hydroxylation.
    • In the presence of a water film, silica surface chemistry had a negligible effect on electron behavior.
    • Electrons preferentially localized at the water/vapor interface with energies of a few tenths of an eV.

    Conclusions:

    • Moisture content profoundly influences electron trapping in polymer nanocomposites.
    • Wet nanocomposites show significantly lower trapping energies and higher electron mobility than dry ones.
    • Water presence dictates electron behavior, overriding silica surface chemistry effects.