PhysRevB_73_125429.pdf (394.8 kB)
Modeling the pinning of Au and Ni clusters on graphite
journal contribution
posted on 2006-05-15, 09:42 authored by Roger Smith, C. Nock, Steven D. Kenny, J.J. BelBruno, M. Di Vece, S. Palomba, R.E. PalmerThe pinning of size-selected AuN and NiN clusters on graphite, for N=7–100, is investigated by means of molecular dynamics simulations and the results are compared to experiment and previous work with Ag clusters. Ab initio calculations of the binding of the metal adatom and dimers on a graphite surface are used to parametrize the potentials used in the simulations. The clusters are projected normally towards a graphite surface and the value of the energy at which pinning first occurs, EP, is determined. Pinning is shown to occur when a surface defect, made by the cluster interaction, is first produced. The simulations give a good agreement with the experimentally determined pinning energy thresholds and the heights of the clusters on the surface. The gold clusters are shown to be flatter and more spread out than the nickel clusters which are more compact.
History
School
- Science
Department
- Mathematical Sciences
Pages
404276 bytesCitation
SMITH, R. ... et al, 2006. Modeling the pinning of Au and Ni clusters on graphite. Physical Review B, 73(12), 125429Publisher
© American Physical SocietyPublication date
2006Notes
This article was published in the journal, Physical Review B [© American Physical Society]. It is also available at: http://link.aps.org/abstract/PRB/v73/e125429.ISSN
0163-1829Language
- en