The growth of free silver nanoclusters is investigated by molecular-dynamics simulations up to sizes close to N = 600 atoms on realistic time scales, and in a temperature range from 400 to 650 K. At low and intermediate temperatures, we grow mainly noncrystalline structures, as icosahedra and decahedra. In particular, at N > 200, we obtain that perfectly ordered metastable icosahedra are very likely grown: either by a shell-by-shell mode on a small-size stable icosahedron, or by a complete structural transformation from a decahedron to a metastable icosahedron. The latter mechanism can explain why large silver icosahedra are more abundant than large decahedra in experiments. At high temperatures, crystalline fcc clusters are very frequently grown. © 2001 The American Physical Society.

Microscopic mechanisms of the growth of metastable silver icosahedra / F. Baletto, C. Mottet, R. Ferrando. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 63:15(2001), pp. 155408.1-155408.10. [10.1103/PhysRevB.63.155408]

Microscopic mechanisms of the growth of metastable silver icosahedra

F. Baletto;
2001

Abstract

The growth of free silver nanoclusters is investigated by molecular-dynamics simulations up to sizes close to N = 600 atoms on realistic time scales, and in a temperature range from 400 to 650 K. At low and intermediate temperatures, we grow mainly noncrystalline structures, as icosahedra and decahedra. In particular, at N > 200, we obtain that perfectly ordered metastable icosahedra are very likely grown: either by a shell-by-shell mode on a small-size stable icosahedron, or by a complete structural transformation from a decahedron to a metastable icosahedron. The latter mechanism can explain why large silver icosahedra are more abundant than large decahedra in experiments. At high temperatures, crystalline fcc clusters are very frequently grown. © 2001 The American Physical Society.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/932148
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