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Issue 19, 2018
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Molecular organizations of conical mesogenic fullerenes

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Abstract

We have studied liquid crystal phases formed by fullerenes functionalized with mesogenic groups yielding a cone-shaped molecular structure. We have modelled these shuttlecock-like molecules with a set of Gay–Berne particles grafted with flexible springs to a spherical core and we have studied, using Monte Carlo simulations, their phase organization, also with a view to examining their possible use as candidate organic photovoltaic materials. We have found that, upon cooling from the isotropic phase, the system forms a columnar phase, like in the experimental work of Kato and coworkers [T. Kato et al., Nature, 2002, 419, 702]. However the phase is made of polar stacks extending not more than about ten molecules, which could limit their usefulness in enhancing and directing charge transport for possible photovoltaic applications.

Graphical abstract: Molecular organizations of conical mesogenic fullerenes

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Publication details

The article was received on 14 Dec 2017, accepted on 06 Apr 2018 and first published on 10 Apr 2018


Article type: Paper
DOI: 10.1039/C7SM02459B
Citation: Soft Matter, 2018,14, 3882-3888
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    Molecular organizations of conical mesogenic fullerenes

    S. Orlandi and C. Zannoni, Soft Matter, 2018, 14, 3882
    DOI: 10.1039/C7SM02459B

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