Experimental and computational study on the influence of cobalt substitution on the structural, impedance, electronic, magnetic, and optical properties of pseudobrookite-structured Fe2TiO5.

We report on how Co substitution of the Fe sites of pseudobrookite (Fe2TiO5) influences the crystal structure, high-temperature electric permittivity, impedance, electronic structure, magnetic, and optical properties via experimental and theoretical investigations. The pseudobrookite phase contains two types of octahedral sites, Fe atoms reside on type of the sites while Ti on the others and replacing Fe with Co can have a huge influence on one or more physical properties that can render the material more useful for solar energy applications. X-ray diffraction and high-temperature electric permittivity/impedance were the experimental tools used. A temperature range of 20-300 °C and a frequency range of 100 Hz to 1 MHz were used for studying various types of relaxation mechanism via impedance analysis, including grains, grain boundaries, and interfacial effects. To explore the electronic structure, magnetic, and optical properties from first principles, dispersion-corrected density functional theory (PBE-D2/U) was employed. The structure as well as the electric impedance properties are impacted slightly by the Co substitution of Fe in Fe2TiO5 whereas the electronic structure and magnetic properties are influenced significantly. The bandgap is reduced slightly and the average magnetic moment per Fe ion is reduced upon Co substitution of Fe in Fe2TiO5.

Bioactivities of Geranium wallichianum Leaf Extracts Conjugated with Zinc Oxide Nanoparticles.

This study attempts to obtain and test the bioactivities of leaf extracts from a medicinal plant, Geranium wallichianum (GW), when conjugated with zinc oxide nanoparticles (ZnONPs). The integrity of leaf extract-conjugated ZnONPs (GW-ZnONPs) was confirmed using various techniques, including Ultraviolet-visible spectroscopy, X-Ray Diffraction, Fourier Transform Infrared Spectroscopy, energy-dispersive spectra (EDS), scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. The size of ZnONPs was approximately 18 nm, which was determined by TEM analysis. Additionally, the energy-dispersive spectra (EDS) revealed that NPs have zinc in its pure form. Bioactivities of GW-ZnONPs including antimicrobial potentials, cytotoxicity, antioxidative capacities, inhibition potentials against α-amylase, and protein kinases, as well as biocompatibility were intensively tested and confirmed. Altogether, the results revealed that GW-ZnONPs are non-toxic, biocompatible, and have considerable potential in biological applications.