Phase transition in the molecular crystal structure of Langmuir-Blodgett film containing pyrrole: Molecular mechanics simulations

Seimei Shiratori, Takesi Nishikawa, Kohei Yokoi

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We studied, by atomic force microscopy (AFM), the changes in the molecular arrangement of arachidic acid (C20) Langmuir-Blodgett (LB) film with increasing quantity of pyrrole (Py) molecules which we used as spacer molecules for C20 molecules in the LB film. When the concentration of Py molecules in the C20 LB film was increased from 0% to 150%, the crystal structure of the LB film changed as follows: oblique lattice→hexagonal lattice→square lattice. These observations agreed qualitatively with the results of computer simulation based on molecular mechanics. Precise control of the crystal structure of LB film by adjusting the number of spacer molecules such as Py in the LB film is possible.

Original languageEnglish
JournalJapanese Journal of Applied Physics, Part 2: Letters
Issue number11 PART A
Publication statusPublished - 1996 Nov 1



  • Arachidic acid
  • Atomic force microscopy
  • Computer simulation
  • Crystal structure
  • Langmuir-Blodgett film
  • Molecular mechanics
  • Phase transition
  • Pyrrole

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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