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Updated: May 18, 2026
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Design of fullerene derivatives for stabilizing LUMO energy using donor groups placed in spatial proximity to the C60
Fukashi Matsumoto1, Toshiyuki Iwai, Kazuyuki Moriwaki
1Osaka Municipal Technical Research Institute, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553, Japan. matumoto@omtri.or.jp
Abstract:
A series of arylated dihydrofullerene derivatives were synthesized to elucidate the effective design of fullerene derivatives for enhancing the performance of organic photovoltaics. The LUMO energy of the fullerenes was estimated by the first reduction potential and theoretical calculations. The results showed that the methoxy groups substituted at spatial proximity to the fullerene core offered significant stabilization of the LUMO level. The stabilizing effect of the directly arylated fullerenes is more significant than that of conventional methanofullerenes. The theoretical investigation was performed with regard to the electronic interaction between the methoxy and fullerene moieties.
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