Abstract

One of the solutions for the growing problem of water purification is photocatalytic degradation of the pollutants. Semiconductor nanoparticles are widely under study as a promising photocatalyst for this purpose. However, there is still lack of understanding of the relation between properties of nanoparticles, in their turn related with synthesis conditions, and photocatalytic efficiency, as well as of the other factors influencing the process.For the first time, a possibility to regulate photocatalytic activity of SnO2 nanoparticles under UV light via regulation of structural parameters is shown. A method for obtaining spherical nanoparticles with different parameters was developed. Obtained nanoparticles were fully characterized. Special attention was paid to the study of oxygen vacancies. With the help of quantum computational methods, it was shown, that the concentration of vacancies is around 1 per 32 tin atoms. Obtained data on oxygen vacancies were further used for the evaluation of pollutant-nanoparticle surface interaction to get closer to the calculations of real systems.On the example of methylene blue, it was shown that the greater is the amount of oxygen vacancies and the lower the amount of defects, the higher photocatalytic activity. The obtained dependence is confirmed by the fact that the photoresponse increases with a decrease of amount of defects in the sample. Degradation kinetics of sulfonamides mixture was studied, and its dependence on active complex formation was shown based on the quantum chemical calculation data. Degradation of antibiotics in water from Neva River reached more than 95% in 35 min, which indicates that developed photocatalyst efficiency is not affected by pollutants contained in open water in the centre of the metropolis. It was shown, that the use of nanoparticles allows to speed up the process of bacteria destruction under UV light, which indicates the antibacterial activity of obtained nanoparticles.

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