In-plane X-ray diffraction profiles from organosilane monolayer/SiO 2 models

Hideaki Yamamoto, Takanobu Watanabe, Iwao Ohdomari

Research output: Contribution to journalArticlepeer-review


The effect of siloxane bonding topology on in-plane X-ray diffraction (XRD) profiles of octadecylsilane self-assembled monolayers (SAMs) on SiO2 was investigated by large-scale atomistic simulation. Equilibrium structures of the octadecylsilane SAM/SiO2 systems were obtained by Metropolis Monte Carlo simulations, sampling SAM/SiO2 structures with different interfacial bonding topologies. Lateral ordering of the octadecylsilane molecules was evaluated by calculating in-plane XRD profiles from the structural models. Analyses of the diffraction profiles revealed that molecules retain a hexagonal order at thermal equilibrium and that the structural order decreases as the number of siloxane bonds increases at the SAM/SiO2 interface.

Original languageEnglish
Pages (from-to)1050021-1050023
Number of pages3
JournalApplied Physics Express
Issue number10
Publication statusPublished - 2008 Oct 1
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)


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