Fortuna, S. (Sara), Cheung, David L. and Troisi, Alessandro (2010) Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. Journal of Physical Chemistry B, Vol.114 (No.5). pp. 1849-1858. doi:10.1021/jp9098649

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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.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Faculty of Science > Chemistry Faculty of Science > Centre for Scientific Computing
Library of Congress Subject Headings (LCSH):	Self-assembly (Chemistry), Hydrogen bonding, Intermolecular forces, Lattice theory, Surface chemistry
Journal or Publication Title:	Journal of Physical Chemistry B
Publisher:	American Chemical Society
ISSN:	1520-6106
Official Date:	11 February 2010
Dates:	Date Event 11 February 2010 Published
Volume:	Vol.114
Number:	No.5
Number of Pages:	10
Page Range:	pp. 1849-1858
DOI:	10.1021/jp9098649
Status:	Peer Reviewed
Publication Status:	Published
Funder:	Leverhulme Trust (LT), Engineering and Physical Sciences Research Council (EPSRC)

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