| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382482 | Chemical Physics Letters | 2013 | 7 Pages |
Abstract
⺠The main absorption band of C212 is blue shifted upon absorption on the TiO2 surface. ⺠The blue shift partly originates from the deprotonation of the carboxylic acid group. ⺠The combination of the SCC-DFTB and TD-DFT methods reproduces well the experiments.
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Authors
Laurent Ducasse, Frédéric Castet, Raphaël Méreau, Sébastien Nénon, Julien Idé, Thierry Toupance, Céline Olivier,