Comparison of Ti-Ti and Ti-O bonds in nano-surfaces of rTiO2 (110) for Conversion Dibenzodioxin to CO2
Journal Title: International Research Journal of Applied and Basic Sciences - Year 2015, Vol 9, Issue 5
Abstract
One of the very dangerous pollutants, which are produced by wet trash burning in our cities, is dibenzodioxin, known as a carcinogenic material. The purpose of this study is eliminating this pollutant and changing it into less dangerous material. Nanoparticles of titanium dioxide (TiO2) are a strong photo catalyst to change hydrocarbon compounds into carbon dioxide. In this study, this pollutants elimination by nanoparticles of rutile titanium dioxin (110) is simulated. Titanium dioxide has two Ti-Ti and Ti-o connection that this pollutants approaching and changing into other products is studied through semi-empirical (ZINDO/S) method. The results show that the energy of pollutants approaching to Ti-O connection is less than Ti-Ti, which is in practice probability of the pollutants approaching to this connection is more, because its electron matching and connection polarity is more.
Authors and Affiliations
Akram salarvand| Department of Chemistry, Doroud Branch, Islamic Azad University, P.O. Box: 133. Doroud. Iran, Leila Mahdavian*| Department of Chemistry, Doroud Branch, Islamic Azad University, P.O. Box: 133. Doroud. Iran, email: Mahdavian_leila@yahoo.com
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