Computational studies on the behavior of Sodium Dodecyl Sulfate (SDS) at TiO2(rutile)/water interfaces

► Properties of SDS surfactant at rutile/water interfaces are investigated. ► Rutile cell orientations (1 0 0), (0 0 1) and (1 1 0) are studied. ► Different SDS structures are formed at the different cell orientations. ► Behavior of surfactant molecules on the (1 0 0) surface is similar to that in graphite.