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First Principeles Initio Study of the Electronic and Optical Properties of Bulk TiC and Its Narrow Nanowires by Density Functional Theory
H. Salehi, P. Amiri, Y. Loveimi Motlagh,
Volume 37, Issue 1 (6-2018)
Abstract
In this article, the electronic  and optical properties of bulk TiC and  its narrow nanowires  were investigated using Quantum-Espresso/PWSCF computational package in the framework of density functional theory. According to the results, this compound showed a  metallic behavior in the bulk structure, but the small diameters of the nanowires  against the bulk structure  showed a semiconducting behavior. This deviation became negligible at the higher diameters. In  both structures, the electronic results were compatible with  the optical  calculations of the structure under consideration. Considering the optical results, the structure of bulk TiC had  the  maximum amount of  refractive index value and this amount could be decreased by a reduction in the nanowire diameters. Also, the optical results indicated that by increasing the size of nanowires, the ELLOS value  was raised toward the corresponding bulk value

The Effect of pH and Duration of Hydrothermal Process on the Synthesis of Manganese Ferrite Nanoparticles
S. Faraji, Gh. Dini, M. Zahraei,
Volume 37, Issue 1 (6-2018)
Abstract
Manganese ferrite nanoparticles (NPs) have different applications, especially in medical diagnosis and treatment as well as the biomolecule separation,. In this research, the effects of various parameters such as the pH of reaction solution and  the hydrothermal process duration on the synthesis of spinel phase in NPs were evaluated. Crystal structure, chemical composition, morphology and size of synthesized particles were investigated by the X-ray diffraction (XRD) analysis and field-emission scanning electron microscopy (FE-SEM) equipped with energy dispersive spectroscopy (EDS). The XRD results showed that the process duration of 12 h and pH=11 were suitable for the formation of monophase manganese ferrite NPs. The FE-SEM investigations showed that the average size of the synthesized NPs was about 50 nm. Moreover, the EDS analysis showed the presence of about 20% of manganese in the NPs structure. Hydrothermally synthesized manganese ferrite NPs in this researchcould be, therefore,  a good candidate for the biomedical application due to their small size and narrow size distribution.

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