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

<table>Isodensity surfaces (0.03 e/bohr<sup>3</sup>) of the key molecular orbitals of the dyes adsorbed on the TiO<sub>2</sub> nanocluster calculated at DFT/B3LYP/DZVP level in water.</table>

International Journal of Photoenergy

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Figure 12

Figure 12: DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 

Figure 12 | DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster 