Phase transitions in a methyl-terminated monolayer self-assembled on Au{111}

Reena Bhatia, Barbara J. Garrison

Research output: Contribution to journalArticlepeer-review

84 Scopus citations


Molecular dynamics simulations have been performed to study the behavior of CH3(CH2)12S chain molecules self-assembled on a Au{111} surface. The temperature dependence of the packing of the chains to form the monolayer has been investigated. The self-assembled monolayer is found to undergo at least two phase transitions. The first transition is a change in tilt direction from nearest neighbor to next-nearest neighbor below room temperature. At temperatures higher than room temperature, there is a transition from the next-nearest neighbor tilt to an orientationally disordered state. The Au-S interface region exhibits characteristics similar to those of two-dimensional melting prior to completion of the second phase transition.

Original languageEnglish (US)
Pages (from-to)765-768
Number of pages4
Issue number4
StatePublished - Feb 19 1997

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry


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