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Formation of Complex Ions03:45

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A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
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The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
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A Method to Fabricate Disconnected Silver Nanostructures in 3D
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Adsorbate induced vacancy formation on silver surfaces.

Travis E Jones1, Tulio C R Rocha, Axel Knop-Gericke

  • 1CNR-IOM Democritos, c/o SISSA, via Bonomea 265 I-34136, Trieste, Italy. trjones@mines.edu.

Physical Chemistry Chemical Physics : PCCP
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PubMed
Summary
This summary is machine-generated.

The surface vacancy formation energy of silver is significantly altered by oxygen. Adsorbed oxygen lowers this energy, impacting mass transport in various metal surface processes.

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Computational Chemistry

Background:

  • Surface vacancies are critical for mass transport in metals.
  • Vacancy formation energies are sensitive to environmental factors.
  • Understanding these energies is key to controlling material properties.

Purpose of the Study:

  • To investigate the effect of adsorbed and dissolved oxygen on silver surface vacancy formation energy.
  • To establish a structure-property relationship for predicting silver behavior in different atmospheres.
  • To explore the role of bond path directionality in mediating these changes.

Main Methods:

  • Density functional theory (DFT) calculations were employed.
  • Electronic structure and topological bond paths were analyzed.
  • Surface vacancy formation energy was computed for silver under various oxygen conditions.

Main Results:

  • Adsorbed atomic oxygen reduced Ag(111) surface vacancy formation energy by over 30%.
  • Surface vacancy formation became exothermic with pure subsurface oxygen.
  • Electronegative adsorbates decreased vacancy formation energy, while electropositive ones increased it.

Conclusions:

  • Oxygen significantly modifies silver's surface vacancy formation energy.
  • Topological bond path directionality explains observed energy changes.
  • This provides a predictive model for silver behavior in diverse atmospheric environments.