PhysRevB_73_125429.pdf (394.8 kB)

Modeling the pinning of Au and Ni clusters on graphite

Download (394.8 kB)
journal contribution
posted on 15.05.2006, 09:42 by Roger Smith, C. Nock, Steven D. Kenny, J.J. BelBruno, M. Di Vece, S. Palomba, R.E. Palmer
The 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 bytes

Citation

SMITH, R. ... et al, 2006. Modeling the pinning of Au and Ni clusters on graphite. Physical Review B, 73(12), 125429

Publisher

© American Physical Society

Publication date

2006

Notes

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

0163-1829

Language

en

Usage metrics

Loughborough Publications

Keywords

Exports