An investigation of the shape of small platinum clusters using the embedded atom method

A. Sachdev; R. I. Masel; J. B. Adams

doi:10.1007/BF00770898

An investigation of the shape of small platinum clusters using the embedded atom method

A. Sachdev, R. I. Masel, J. B. Adams

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13 Scopus citations

Abstract

The equilibrium shape and structure of small platinum clusters with 5-60 atoms was investigated using the embedded atom method (EAM). An analysis of the stability of the clusters with polyhedral symmetries indicated that, except at the magic number sizes, the clusters spontaneously reconstructed to more stable shapes at 0 K. Even the magic number icosahedra and cubo-octahedra were unstable upon annealing at 500 K. The clusters which reconstruct to lower energy structures appear to be highly asymmetric and irregular. Many different structures were found to have similar energies. The annealed clusters also display surface features not found in bulk platinum.

Original language	English (US)
Pages (from-to)	57-64
Number of pages	8
Journal	Catalysis Letters
Volume	15
Issue number	1-2
DOIs	https://doi.org/10.1007/BF00770898
State	Published - Mar 1 1992
Externally published	Yes

Keywords

Platinum particles
active sites
catalyst microstructure
embedded atom method

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1007/BF00770898

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abstract = "The equilibrium shape and structure of small platinum clusters with 5-60 atoms was investigated using the embedded atom method (EAM). An analysis of the stability of the clusters with polyhedral symmetries indicated that, except at the magic number sizes, the clusters spontaneously reconstructed to more stable shapes at 0 K. Even the magic number icosahedra and cubo-octahedra were unstable upon annealing at 500 K. The clusters which reconstruct to lower energy structures appear to be highly asymmetric and irregular. Many different structures were found to have similar energies. The annealed clusters also display surface features not found in bulk platinum.",

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AU - Masel, R. I.

AU - Adams, J. B.

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Y1 - 1992/3/1

N2 - The equilibrium shape and structure of small platinum clusters with 5-60 atoms was investigated using the embedded atom method (EAM). An analysis of the stability of the clusters with polyhedral symmetries indicated that, except at the magic number sizes, the clusters spontaneously reconstructed to more stable shapes at 0 K. Even the magic number icosahedra and cubo-octahedra were unstable upon annealing at 500 K. The clusters which reconstruct to lower energy structures appear to be highly asymmetric and irregular. Many different structures were found to have similar energies. The annealed clusters also display surface features not found in bulk platinum.

AB - The equilibrium shape and structure of small platinum clusters with 5-60 atoms was investigated using the embedded atom method (EAM). An analysis of the stability of the clusters with polyhedral symmetries indicated that, except at the magic number sizes, the clusters spontaneously reconstructed to more stable shapes at 0 K. Even the magic number icosahedra and cubo-octahedra were unstable upon annealing at 500 K. The clusters which reconstruct to lower energy structures appear to be highly asymmetric and irregular. Many different structures were found to have similar energies. The annealed clusters also display surface features not found in bulk platinum.

KW - Platinum particles

KW - active sites

KW - catalyst microstructure

KW - embedded atom method

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ER -

An investigation of the shape of small platinum clusters using the embedded atom method

Abstract

Keywords

ASJC Scopus subject areas

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