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Gold nanoparticles under gas pressure.

Keith P McKenna¹

¹Dept. of Phys. and Astronomy and London Centre for Nanotechnology, Univ. Coll. London, Gower St., London, UKWC1E 6BT and World Premier Int. Res. Ctr., Advanced Inst. for Materials Res., Tohoku Univ., 2-1-1, Katahira, Aoba-ku, Sendai, 980-8577, Japan.

Physical Chemistry Chemical Physics : PCCP

|May 22, 2009

Summary

Carbon monoxide adsorption alters the preferred atomic structures of gold nanoparticles. This finding is crucial for understanding nanoparticle behavior in gas sensing and catalysis applications.

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Area of Science:

Materials Science
Physical Chemistry
Computational Nanoscience

Background:

Gold nanoparticles exhibit unique structural properties influenced by their environment.
Understanding atomic-scale structure is key to optimizing nanoparticle applications.

Purpose of the Study:

To investigate the effect of carbon monoxide (CO) adsorption on the stable structures of gold (Au) nanoparticles.
To determine how gas pressure modifies nanoparticle morphology.

Main Methods:

Theoretical investigation using an embedded atom model potential.
Statistical mechanics model to calculate nanoparticle free energies.
Simulation of nanoparticles up to 10,000 atoms (7 nm diameter).

Main Results:

The sequence of high-stability morphologies for Au nanoparticles in vacuum (decahedral, icosahedral, Marks-decahedral, truncated octahedral) changes under gas pressure.
Under gas pressure, the preferred sequence becomes octahedral, Marks-decahedral, and truncated octahedral.

Conclusions:

CO adsorption significantly influences the thermodynamically favored atomic structures of gold nanoparticles.
The findings have implications for the design and application of gold nanoparticles in heterogeneous catalysis and gas sensing.