Abstract

One of the promising materials for photocatalysis is titanium dioxide TiO₂, the interest to it is due to its physicochemical properties. In addition, it is used as an effective photocatalyst for a number of chemical reactions and is widely appied to purifying water and air from toxic organic impurities. Interest in the theoretical study of the interaction of O₂ molecules, which in the gas phase are in the form of a triplet diradical, with a solid-phase surface, has grown significantly. The results of such studies are fundamental both for adsorption and catalysis, and for the general theory of metal corrosion, and let it possible to eliminate the problem considerably, at least to slow down the corresponding reactions [1].