Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface
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. ISSN 1520-6106Full text not available from this repository.
Official URL: http://dx.doi.org/10.1021/jp9098649
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|
|Official Date:||11 February 2010|
|Number of Pages:||10|
|Page Range:||pp. 1849-1858|
|Funder:||Leverhulme Trust (LT), Engineering and Physical Sciences Research Council (EPSRC)|
(1) Tomba, G.; Vita, A. D. AdV. Mater. 2009, 21, 1055–1066.
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