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Molecular organizations of conical mesogenic fullerenes

Abstract

We have studied liquid crystal phases formed by fullerenes functionalized with mesogenic groups yielding a cone-shape 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, on cooling from the isotropic phase, the system forms a columnar phase, like in the experimental work of Kato and coworkers [Kato et al., Nature, 419, 702, 2002]. 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 in potential photovoltaic applications.

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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, Accepted Manuscript
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    Molecular organizations of conical mesogenic fullerenes

    S. Orlandi and C. Zannoni, Soft Matter, 2018, Accepted Manuscript , DOI: 10.1039/C7SM02459B

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