Study of photocatalytic activity of ZnO synthesised by various methods

The document reveals the findings of the synthesis of nanostructured zinc oxide (ZnO) by various methods, including salt-gel, hydrothermal and “green” synthesis. The structure, morphology and optical properties of the minerals acquired, along with their capacity to catalyze reactions in the decomposition of organic contaminants, including methyl orange and methylene blue, are studied. It is shown that hydrothermal and “green” synthesis methods provide high surface area and steady activity ZnO nanostructures. Doping ZnO with nitrogen and carbon improved the spectral sensitivity of the material, allowing efficient decomposition of pollutants under the influence of sunlight. It can be seen that the highest decomposition rate measured with ZnO photocatalyst is rhodium B (<i>k</i> = 0.0279 min^-1). Among the dyes, the decomposition rate index is the lowest for methyl yellow, as its decomposition rate constant was found to be <i>k</i> = 0.0144 min^-1. The band gap energy of the zinc oxide nanocluster The calculation was performed utilizing the B3LYP (Lee-Yang-Parr) hybrid functional basis set in conjunction with the LANL2DZ basis set the electronic nature of the density functional theory (TD-DFT). It is known that the _EHUMO-ELUMO, or the energy disparity in between HUMO and LUMO, offers band gap energy between them. For example, the energy of the valence band 194th frontier orbital (HUMO) in the (ZnO)₁₀ cluster was found to be E_HUMO = -0.30389 Hatry energy units, and the energy of the conduction band 195 th frontier orbital (LUMO) was found to be E_LUMO = -0.12819 Hatry energy units.

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