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Electronic Structure of Anthocyanidins Adsorbed on Buckminsterfullerene: First Principles Studies
Author(s) -
Su Yen Hsun,
Wu YangKai,
Hsue YoungChung
Publication year - 2010
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201000178
Subject(s) - anthocyanidins , buckminsterfullerene , chemistry , solar cell , fullerene , glycoproteomics , photochemistry , optoelectronics , organic chemistry , materials science , flavonoid , antioxidant , biochemistry , glycoprotein , glycan
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 (C 60 )‐anthocyanins system is desired. We use an inexpensive and low‐cost method tool, density functional theory, to study the buckminsterfullerene (C 60 )‐ anthocyanidins system. We found formation energy of C 60 adsorbing anthocyanidins is ranged from −0.61 eV to −2.42 eV. Thus, compound of C 60 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.