Titanium dioxide defect structures as catalytic sites

  • O. S. Smirnova Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • A. G. Grebenyuk Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • V. V. Lobanov Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine


The spatial and electronic structures of defect and admixture sites of titania polymorphs have been analysed in the article as well as their manifestations in adsorption, catalysis, and photocatalytic processes. The role has been examined of the various forms of adsorbed oxygen in the redox reactions involving TiO2 surfaces. The results of experimental studies known from the literature are compared the properties of molecular and periodic models for the titania bulk and surface evaluated by means of quantum chemical methods.


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How to Cite
Smirnova, O., Grebenyuk, A., & Lobanov, V. (2017). Titanium dioxide defect structures as catalytic sites. Surface, (9(24), 44-56. https://doi.org/10.15407/Surface.2017.09.044
Theory of surface chemical structure and reactivity.