Additive-induced ordered structures formed by PC71BM fullerene derivatives

We report the results of an experimental and theoretical study of structure formation in mixtures of phenyl-C-71-butyric acid methyl ester (PC71BM) 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 PC71BM/ODT mixture revealed the self-assembly of fullerenes into sponge-like network structures.

Automated summary

Experimental and theoretical studies showed evidence of fullerenes crystallization and self-assembly into sponge-like network structures in mixtures of PC71BM with high boiling solvent additives.