The anatase found at Pitfield has a very high TiO2 content and is free of deleterious impurities, making it a desirable feedstock for processing to TiO2 pigment. Anatase can be chlorinated to produce ...

Anatase titanium oxide is important for its high chemical stability and photocatalytic properties, however, the latter are plagued by its large band gap that limits its activity to only a small ...

we perform 0 K geometry optimisations of the atomic positions, keeping the length of the cell vectors fixed; we retain at maximum the 1.5 ⋅ 10 3 configurations with the lowest energy for the following ...