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Related Experiment Videos

Catalytic CO oxidation by a gold nanoparticle: a density functional study.

Nuria Lopez1, Jens K Nørskov

  • 1Center for Atomic-Scale Materials Physics, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark.

Journal of the American Chemical Society
|September 19, 2002
PubMed
Summary

Gold nanoparticles catalyze CO oxidation at room temperature. This extraordinary reactivity stems from unique geometries and enhanced molecular interactions in small gold clusters.

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Area of Science:

  • * Materials Science
  • * Catalysis
  • * Computational Chemistry

Background:

  • * Gold is typically inert, resisting oxidation and surface adsorption.
  • * However, nanometer-sized gold particles exhibit catalytic activity, even at low temperatures.
  • * The precise mechanisms behind this phenomenon remain under investigation.

Purpose of the Study:

  • * To investigate the catalytic potential of isolated gold clusters for CO oxidation.
  • * To elucidate the underlying atomic and electronic factors contributing to gold's catalytic activity at the nanoscale.
  • * To explore the feasibility of gold catalysis at or below room temperature.

Main Methods:

  • * Self-consistent density functional calculations were employed.

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  • * The study focused on an isolated Au10 cluster model.
  • * Analysis of reaction geometries and molecular interactions was performed.

    • Main Results:

    • * An isolated Au10 cluster demonstrates catalytic activity for CO oxidation below room temperature.
    • * Calculations reveal special reaction geometries unique to small gold particles.
    • * Low-coordinated gold atoms show an enhanced ability to interact with surrounding molecules.

    Conclusions:

    • * Nanoscale gold clusters, even isolated ones, can effectively catalyze CO oxidation at low temperatures.
    • * The catalytic activity is attributed to specific geometric configurations and the electronic properties of low-coordination gold atoms.
    • * These findings challenge traditional views of gold's inertness and highlight its potential in low-temperature catalysis.