Modelling of aqueous solvation of eosin Y at the rutile TiO2(1 1 0)/water interface

Molecular dynamics simulations at 298 K are used to study an aqueous dissolved dye (eosin Y) adsorbed at the TiO2(1 1 0) surface to extract static and dynamic information of solvation. Differences in the physical behaviour of the dye at the surface and in bulk water are compared with recent transient absorption and photon echo experiments within the limits of linear response. The calculated solvent dynamics features fast contributions, which change very little at the surface as well as a slow component, which slows down by a factor of two at the interface, in good agreement with experimental data.