A novel structural motif for free CoPt nanoalloys

Irina Parsina; Cono DiPaola; Francesca Baletto

doi:10.1039/c1nr11171j

A novel structural motif for free CoPt nanoalloys

Irina Parsina, Cono DiPaola, Francesca Baletto

King's College London

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

The growth of small free platinum-cobalt nanoclusters has been modelled through the one-by-one atom deposition technique based on classical Molecular Dynamics. A novel structural motif, reminiscent of two stacked poly-icosahedral pancakes, has been found in close competition with a Marks-decahedron and a face-centred-cubic geometry at around 75 atoms for a cobalt-rich stoichiometry. The results have been confirmed at the density-functional level, which reveals an unexpected stability of this new morphology over a wide range of chemical compositions. Magnetic properties have been also discussed.

Original language	English
Pages (from-to)	1160 - 1166
Number of pages	7
Journal	Nanoscale
Volume	4
Issue number	4
DOIs	https://doi.org/10.1039/c1nr11171j
Publication status	Published - 21 Feb 2012

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10.1039/c1nr11171j

ISSPIC XVI
Baletto, F. (Invited speaker)
10 Jul 2012
Activity: Participating in or organising an event › Participation in conference

Cite this

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abstract = "The growth of small free platinum-cobalt nanoclusters has been modelled through the one-by-one atom deposition technique based on classical Molecular Dynamics. A novel structural motif, reminiscent of two stacked poly-icosahedral pancakes, has been found in close competition with a Marks-decahedron and a face-centred-cubic geometry at around 75 atoms for a cobalt-rich stoichiometry. The results have been confirmed at the density-functional level, which reveals an unexpected stability of this new morphology over a wide range of chemical compositions. Magnetic properties have been also discussed.",

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N2 - The growth of small free platinum-cobalt nanoclusters has been modelled through the one-by-one atom deposition technique based on classical Molecular Dynamics. A novel structural motif, reminiscent of two stacked poly-icosahedral pancakes, has been found in close competition with a Marks-decahedron and a face-centred-cubic geometry at around 75 atoms for a cobalt-rich stoichiometry. The results have been confirmed at the density-functional level, which reveals an unexpected stability of this new morphology over a wide range of chemical compositions. Magnetic properties have been also discussed.

AB - The growth of small free platinum-cobalt nanoclusters has been modelled through the one-by-one atom deposition technique based on classical Molecular Dynamics. A novel structural motif, reminiscent of two stacked poly-icosahedral pancakes, has been found in close competition with a Marks-decahedron and a face-centred-cubic geometry at around 75 atoms for a cobalt-rich stoichiometry. The results have been confirmed at the density-functional level, which reveals an unexpected stability of this new morphology over a wide range of chemical compositions. Magnetic properties have been also discussed.

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A novel structural motif for free CoPt nanoalloys

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