  We propose an alternative structure of TiO2 anatase that has a higher energy
oxygen p-like valence band maximum than the pristine TiO2 anatase and thus has
a much better alignment with the water splitting levels. This alternative
structure is unique when considering a large subspace of possible structural
distortions of TiO2 anatase. We propose two routes towards this state and argue
that one of them might have been realized in the recently discovered so-called
black TiO2.
