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

<table>Optimized structure of complex dye-oxide systems with anchoring primarily through the hydroxyl group, calculated at DFT/B3LYP/3-21G(d) level.</table>

International Journal of Photoenergy

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Figure 8

Figure 8: DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 

Figure 8 | DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 