The synthesis and characterization of a family of [60]fullerocurcuminoids obtained via Bingel reactions is reported. The new C 60 derivatives include curcumin and curcuminoids with a variety of end groups. Preliminary biological experiments show the potential activity of the compound containing a curcumin addend, which exhibits moderate anti-HIV-1 and radical scavenger properties, but no anti-cancer activity. In addition, the new fullerocurcuminoids exhibit HOMO/LUMO energy levels that are reasonably matched with those of perovskites and when they were tested in perovskite solar cells (PSCs) as the electron transporting material (ETM), photoconversion efficiencies ranging from 14.04–14.95% were obtained, whereas a value of 16.23% was obtained for [6,6]-phenyl-C 61 -butyric acid methyl ester ( PC61BM ) based devices.
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Photo-Induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Ab Initio Excited-State Dynamics
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Entropy-based methods are useful tools for investigating various problems in mathemati- cal chemistry, computational physics and pattern recognition. In this paper we introduce a general framework for applying Shannon entropy to fullerene graphs, and used it to in- vestigate their properties. We show that important physical properties of these molecules can be determined by applying Hosoya entropy to their corresponding graphs.more » « less
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Entropy-based methods are useful tools for investigating various problems in mathemati- cal chemistry, computational physics and pattern recognition. In this paper we introduce a general framework for applying Shannon entropy to fullerene graphs, and used it to in- vestigate their properties. We show that important physical properties of these molecules can be determined by applying Hosoya entropy to their corresponding graphs.more » « less
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