Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface

Sara Fortuna, David Cheung, Alessandro Troisi

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

We model the two-dimensional self-assembly of planar molecules capable of complementary interactions (like hydrogen bonding) as a set of hexagonal tiles on a hexagonal lattice. We use Monte Carlo simulations to study the phase diagrams of three model systems. The phases are characterized using a variety of order parameters, and they are studied as a function of the strength of the complementary interaction energy. This simplified model is proven to be capable of reproducing the phases encountered in real systems, unifying within the same framework most of the structures encountered experimentally.
LanguageEnglish
Pages1849-1858
Number of pages10
JournalJournal of Physical Chemistry B
Volume114
Issue number5
DOIs
Publication statusPublished - 11 Feb 2010

Fingerprint

Hydrogen
Molecules
hydrogen
molecules
tiles
Tile
Self assembly
Phase diagrams
self assembly
Hydrogen bonds
phase diagrams
interactions
simulation
energy
Monte Carlo simulation

Keywords

  • hexagonal lattice model
  • patterns
  • hydrogen-bonded
  • molecules
  • surface

Cite this

Fortuna, Sara ; Cheung, David ; Troisi, Alessandro. / Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. In: Journal of Physical Chemistry B. 2010 ; Vol. 114, No. 5. pp. 1849-1858.
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Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. / Fortuna, Sara; Cheung, David; Troisi, Alessandro.

In: Journal of Physical Chemistry B, Vol. 114, No. 5, 11.02.2010, p. 1849-1858.

Research output: Contribution to journalArticle

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