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Density Functional Theory Calculation on Improving the Photocatalytic Properties of Zinc Oxide and Cadmium Sulfide by Hybridization with Metal-Organic Framework
M. Dehestani, L. Zeidabadinejad, S. Pourestarabadi,
Volume 34, Issue 4 (3-2016)
Abstract

In this study, energy and chemical interaction of ZnO and CdS surfaces interfaced with metal-organic framework (MOF), to improve their properties, have been investigated using density functional theory (DFT). Results show that reformation of structures by hybridation with MOF can increase their stability and improve their properties. Comparison of ZnO and CdS structures predict that deposition of MOF on ZnO substrate can be more effective.


Effect of Different Concentrations of Rosemary Extract on the Phase and Morphology of Zno Nanoparticles and Its Efficiency on Degradation of Methylene Blue Dye
F. Davar, Z. Enteshari,
Volume 39, Issue 1 (5-2020)
Abstract
In this research, Zinc oxide nanoparticles with semi-spherical morphology were synthesized by modified sol-gel method using rosemary extract as a stabilizing agent. The effect of the amount of rosemary extract and calcination temperature on size and shape of the particles was investigated. The samples were characterized by X-ray diffraction (XRD), infrared spectroscopy (FT-IR), scanning electron microscopy (SEM) and elemental analysis (EDX). X-ray diffraction results showed hexagonal structure (wurtzite phase) of zinc oxide. According to the SEM results semi-spherical nanoparticles of 18 nm in size were obtained using 75 ml of rosemary extract. The photocatalytic activity of the modified ZnO nanoparticles was investigated for degradation of the methylene blue dye solution. The results showed 96.87% of dye degradation in the 135 min that confirmed suitable efficiency of as-synthesized nanoparticles in the photocatalytic degradation process of dyes.

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