Figure 4.

Results from MD simulations with 1.0 ML of H₂O coverage on the planar SrO termination (a) and TiO₂ termination (b). For each surface, we present a snapshot of the equilibrated structure, the vertical density profile and the histogram of lateral positions for selected peaks in the hydration structure. In the vertical density profiles, the dashed verticallines denote the first hydration layer. In the lateral position histograms, the surface cation positions are schematically marked by yellow circles and the surface anion positions by red ones. The dashed squares denote simulation cell boundaries. (Online version in colour.)