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Theoretical Study on the Interactions between Black Dye and Iodide in Dye-Sensitized Solar Cells

✍ Scribed by Kusama, Hitoshi; Sugihara, Hideki; Sayama, Kazuhiro

Book ID
120645749
Publisher
American Chemical Society
Year
2011
Tongue
English
Weight
915 KB
Volume
115
Category
Article
ISSN
1932-7447

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Theoretical study of quinolines–I2 inter
Theoretical study of quinolines–I2 intermolecular interaction and implications on dye-sensitized solar cell performance
✍ Hitoshi Kusama; Hideki Sugihara πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 239 KB

## Abstract The monomer and intermolecular charge‐transfer complexes of 13 different quinoline derivatives with diiodine were studied using __ab initio__ molecular orbital (MO) and density functional theory (DFT) methods. Calculations revealed that the Οƒ\* orbital of iodine interacts with the nitro