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