Microscopic mechanisms of the growth of metastable silver icosahedra

TY - JOUR

T1 - Microscopic mechanisms of the growth of metastable silver icosahedra

AU - Baletto, F

AU - Mottet, C

AU - Ferrando, R

PY - 2001

Y1 - 2001

N2 - 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

AB - 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

M3 - Article

SN - 1550-235X

SN - 2469-9969

VL - 6315

SP - 1554081

EP - 15540810

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

IS - 15

M1 - 155408

ER -