Issue 22, 2009
From the journal:

Soft Matter

Self assembled fullerene walls in di-mesogenic-C60 materials†

Silvia Orlandi,a   Luca Muccioli,a   Matteo Riccia  and  Claudio Zannoni*a  

* Corresponding authors

a Dipartimento di Chimica Fisica ed Inorganica, Università di Bologna and INSTM-CRIMSON, Viale Risorgimento 4, IT-40136 Bologna, Italy
E-mail: Claudio.Zannoni@unibo.it
Fax: +39 051 6447012
Tel: +39 051 6447012

Abstract

We present a Monte Carlo simulation study of the phase behaviour and molecular organization of fullerene-based compounds, formed by a central fullerene with two mesogenic groups attached at its sides, that we describe with a generalized Gay–Berne model with flexible spacers. We consider two cases with identical substituents, either rod-like or disc-like, and investigate the thermotropic phases they form, focusing on the microsegregation and spatial organization of the fullerene and mesogen moieties, also in view of the potential interest for organic solar cells. The simulations produce, for these phases, equilibrium configurations with partial or complete two-dimensional segregation of C60 from mesogenic moieties. The predicted phase organisations seem very promising in terms of optimization of charge and energy transport properties.

Graphical abstract: Self assembled fullerene walls in di-mesogenic-C60 materials

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Article information

DOI
https://doi.org/10.1039/B911336C
Article type
Paper
Submitted
10 Jun 2009
Accepted
12 Aug 2009
First published
09 Sep 2009

Soft Matter, 2009,5, 4484-4491

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Self assembled fullerene walls in di-mesogenic-C60 materials

S. Orlandi, L. Muccioli, M. Ricci and C. Zannoni, Soft Matter, 2009, 5, 4484 DOI: 10.1039/B911336C

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