INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Diffusion mechanisms taking place eat the early stages of cobalt deposition on Au(111)
Autor/es:
O. A. OVIEDO; LEIVA, EPM; M. M. MARISCAL
Revista:
JOURNAL OF PHYSICS CONDENSED MATTER
Editorial:
IOP Publishing
Referencias:
Lugar: London; Año: 2008 vol. 20 p. 265010 - 265010
ISSN:
0953-8984
Resumen:
In the present work a detailed atomic-level analysis of some of the main diffusion mechanisms
which take place during cobalt adatom deposition are studied within atom dynamics (AD) and
the nudged elastic band (NEB) method. Our computer simulations reveal a very fast exchange
between Co and Au atoms when the deposit is a single cobalt adatom. However, when the
nucleus size increases, a decrease in the exchange probability is observed. Activation energies
for different transitions are obtained using AD in combination with the NEB method.
