Generation of 3D hydrocarbon thin films via organic molecular cluster collisions

Lifeng Qi, Susan B. Sinnott

Research output: Contribution to journalArticle

19 Scopus citations

Abstract

Thin film growth through the consecutive impact of energetic ethyne molecular clusters with a non-rigid, hydrogen-terminated diamond (111) surface in vacuum has been studied using molecular dynamics simulations. A second-generation version of the reactive empirical bond-order potential for hydrocarbons developed by Brenner, that has been modified to include long-range van der Waals interactions, is used in the simulations. The velocities considered are in the hyperthermal region and are comparable with those that can trigger shock-induced chemistry in energetic materials. The resulting film structure is predicted to be significantly different from diamond, graphite, or diamond-like amorphous-carbon thin films. The evolving film morphology is discussed in detail and the results compared with single cluster impacts involving a comparable number of molecules.

Original languageEnglish (US)
Pages (from-to)195-202
Number of pages8
JournalSurface Science
Volume398
Issue number1-2
DOIs
StatePublished - Jan 1 1998

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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