Cluster size dependence and yield linearity in cluster bombardment simulations of benzene

Kathleen E. Ryan, Barbara Jane Garrison

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

Cluster bombardment of a molecular solid, benzene, is modeled using molecular dynamics simulations in order to investigate the effect of projectile cluster size and incident energy on the resulting yield. Using the mesoscale energy deposition footprint (MEDF) model, we are able to model large projectiles with incident energies from 5 to 140 keV and predict trends in ejection yield. The highest ejection yield at 5 keV was observed at C20 and C 60, but shifts toward larger clusters for higher energies. These trends are explained in terms of the MEDF model. For these projectiles, all of the incident energy is deposited in the near-surface region, which is optimal for the projectile energy to contribute to the ejection yield. Because the energy is deposited in the optimal position for contributing to the ejection process, the yields increase linearly with incident energy with a slope that is nearly independent of the cluster size.

Original languageEnglish (US)
Pages (from-to)6666-6670
Number of pages5
JournalAnalytical Chemistry
Volume80
Issue number17
DOIs
StatePublished - Sep 1 2008

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Projectiles
Benzene
Molecular dynamics
Computer simulation

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry

Cite this

Ryan, Kathleen E. ; Garrison, Barbara Jane. / Cluster size dependence and yield linearity in cluster bombardment simulations of benzene. In: Analytical Chemistry. 2008 ; Vol. 80, No. 17. pp. 6666-6670.
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Cluster size dependence and yield linearity in cluster bombardment simulations of benzene. / Ryan, Kathleen E.; Garrison, Barbara Jane.

In: Analytical Chemistry, Vol. 80, No. 17, 01.09.2008, p. 6666-6670.

Research output: Contribution to journalArticle

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