Influence of molecule-surface and molecule-molecule interactions on two-dimensional patterns formed by functionalised aromatic molecules

Fortuna, Sara and Johnston, Karen (2018) Influence of molecule-surface and molecule-molecule interactions on two-dimensional patterns formed by functionalised aromatic molecules. Journal of Physical Chemistry C. ISSN 1932-7447 (https://doi.org/10.1021/acs.jpcc.8b01432)

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Abstract

Molecules self-assemble on surfaces forming a variety of patterns that depend on the relative strength between the intermolecular and molecule–surface interactions. In this study, the effect of the physisorption/chemisorption interplay on self-assembly is investigated using Monte Carlo simulations. The molecules are modeled as hexagonal tiles capable of assuming two distinct adsorption states, with different diffusion properties, on a hexagonal lattice. The self-assembled structures that emerge by tuning the molecule–surface and molecule–molecule interactions are systematically mapped out to develop understanding of their phase behavior. The resulting phase diagrams will guide the engineering of novel molecules to obtain desired collective structural properties for the development of innovative two-dimensional devices.

ORCID iDs

Fortuna, Sara and Johnston, Karen ORCID logoORCID: https://orcid.org/0000-0002-5817-3479;
  • Item type:Article
    ID code:63674
    Dates:
    Date
    Event
    9 March 2018
    Published
    9 March 2018
    Published Online
    9 March 2018
    Accepted
    Keywords:molecule self assembly, Monte Carlo simulation, monolayers, Chemical engineering, Surfaces, Coatings and Films, Physical and Theoretical Chemistry, Electronic, Optical and Magnetic Materials
    Subjects:Technology > Chemical engineering
    Department:Faculty of Engineering > Chemical and Process Engineering
    Depositing user: Pure Administrator
    Date deposited:11 Apr 2018 09:57
    Last modified:01 Nov 2023 10:59
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/63674
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