DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster

<table>Density of states of the Ti<sub>24</sub>O<sub>50</sub>H<sub>4</sub> cluster calculated at DFT/B3LYP/DZVP level in water. The contributions of the orbitals to Ti and O atoms as well as to the –OH groups are shown separately.</table>

International Journal of Photoenergy

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Figure 5

Figure 5: DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 

Figure 5 | DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 