The efficiency of photoelectric conversion for environmentally-friendly green solar cell, such as anthocyanidins-sensitized solar cell, is low. Recently, fullerene-based solar cell is used to improve efficiency of photo-electric conversion. The evaluation of formation for the buckminsterfullerene (C60)-anthocyanins system is desired. We use an inexpensive and low-cost method tool, density functional theory, to study the buckminsterfullerene (C60)-anthocyanidins system. We found formation energy of C60 adsorbing anthocyanidins is ranged from-0.61 eV to-2.42 eV. Thus, compound of C60 and anthocyanidins may be synthesized by arc or laser power under reduction atmosphere. These phenomenons will have a potential to apply in the evaluation and database of anthocyanidins-sensitized fullerene-based solar cell.
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