| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5451254 | Solar Energy | 2017 | 9 Pages |
Abstract
Conversely, the interaction between Cyanidin and Cyanidin 3,5-diglucoside with TiO2 as the semiconductor in its cluster and surface form was also studied using periodic density functional calculations for suitable supercell models representing the systems of interest. For the Cyanidin 3,5-diglucoside/TiO2 system the results showed that its highest occupied molecular orbital (HOMO) is located in the TiO2 bandgap and its lowest unoccupied molecular orbital (LUMO) is close to the TiO2 conduction band minimum (CB) leading to greatly enhanced visible light absorption.
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Authors
Tatiana Gomez, Franklin Jaramillo, Eduardo Schott, Ramiro Arratia-Pérez, Ximena Zarate,