Carboxylate Adsorption on Rutile TiO₂(100): Role of Coulomb Repulsion, Relaxation, and Steric Hindrance.

There is negligible difference between the distortion energies shown in Table 1 for both the c(2 × 2) and 2 × 1 coverage. This suggests that the energetic contribution of relaxation induced by adsorption is not sensitive to the arrangement of acetate molecules. However, the relaxation associated with the hydroxyl groups on the (100) surface is quite significant.

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