Additive-induced ordered structures formed by PC71BM fullerene derivatives

PV Komarov and MD Malyshev and TC Yang and CT Chiang and HL Liao and DV Guseva and VY Rudyak and VA Ivanov and SH Tung, SOFT MATTER, 17, 810-814 (2021).

DOI: 10.1039/d0sm02240c

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.

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