INTEC   05402
INSTITUTO DE DESARROLLO TECNOLOGICO PARA LA INDUSTRIA QUIMICA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
1-D vs 2-D diffusion of Cu tetraners on Cu(111) studied by molecular dynamics simulations
Autor/es:
J. FERRON; R. MIRANDA; J.J. DEMIGUEL
Lugar:
Edimburgo
Reunión:
Conferencia; CMD-24 (ECOSS-29, CMMP-12, ECSCD-11); 2012
Resumen:
The surface diffusion of Cu tetramers on Cu(111) has
been studied by means of Molecular Dynamics simulations using Embedded Atom
interatomic potentials [1]. It is found that the Cu clusters diffuse by a concerted
hopping mechanism. The topology of the Cu(111) surface introduces an anisotropy
in the shape of the Cu tetramers that in turn results in highly anisotropic
diffusion. We show how the diffusive movement of the Cu clusters crossover from
practically one-dimensional to nearly isotropical two-dimensional with
increasing substrate temperature, and analyze the changes in the hopping
mechanisms of the individual atoms and in the tetramer morphology that are responsible
for this behaviour