Influence of electron-donating and accepting functionalization of fullerene-based photosensitizers on the charge-generation efficiency of polymer composites

We studied a series of fullerene derivatives, which had been functionalized by an electron-donating group (triphenylamine) or an electron-accepting group (cyanobenzene), for use as photosensitizers in photoconducting polymer composites. The functionalized fullerenes were synthesized via the Prato reaction. The electronic energy levels of the fullerene derivatives and photo-charge-generation efficiencies of charge-transfer complex between the photoconducting polymer and the dopant were investigated by using density functional theory calculations, optical absorption spectroscopy, and xerographic discharge methods.