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Title:Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface
Authors:ID Fortuna, Sara, Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, United Kingdom (Author)
ID Cheung, David L., Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, United Kingdom (Author)
ID Troisi, Alessandro, Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, United Kingdom (Author)
Files: This document has no files that are freely available to the public. This document may have a physical copy in the library of the organization, check the status via COBISS. Link is opened in a new window
Language:English
Work type:Not categorized
Typology:1.01 - Original Scientific Article
Organization:UNG - University of Nova Gorica
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.
Keywords:self-assembly, self-organisation, Monte Carlo, simulation, lattice model, dicarboxilic acid, hexagonal lattice
Year of publishing:2010
Number of pages:1849-1858
Numbering:114, 5
PID:20.500.12556/RUNG-2656 New window
COBISS.SI-ID:4530427 New window
DOI:10.1021/jp9098649 New window
NUK URN:URN:SI:UNG:REP:4EX3ZBEI
Publication date in RUNG:10.10.2016
Views:4478
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Record is a part of a journal

Title:Journal of Physical Chemistry B
Publisher:American Chemical Society
Year of publishing:2010
ISSN:1520-6106

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