Additive-induced ordered structures formed by PC<sub>71</sub>BM fullerene derivatives.

Komarov, Pavel V; Malyshev, Maxim D; Yang, Tsu-Che; Chiang, Cheng-Ting; Liao, Hu-Li; Guseva, Daria V; Rudyak, Vladimir Yu; Ivanov, Viktor A et al. · Soft Matter · 2021

basic_science · Level V

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Abstract

We report the results of an experimental and theoretical study of structure formation in mixtures of phenyl-C<sub>71</sub>-butyric acid methyl ester (PC<sub>71</sub>BM) with high boiling octane based solvent additives 1,8-octanedithiol (ODT), 1,8-dibromooctane, and 1,8-diiodooctane obtained by evaporation of a host-solvent (chlorobenzene). Experimental studies by DSC, SAXS and WAXS methods found evidence of crystallization of fullerenes in the presence of the high boiling additives in the mixtures. A molecular dynamics simulation of a PC<sub>71</sub>BM/ODT mixture revealed the self-assembly of fullerenes into sponge-like network structures.