The spinel cobalt oxide Co3O4 is a magnetic semiconductor containing cobalt ions in Co2+ and Co3+ oxidation states. We have studied the electronic, magnetic, and bonding properties of Co3O4 using density functional theory (DFT) at the Generalized Gradient Approximation (GGA), GGA+U, and PBE0 hybrid functional levels. The GGA correctly predicts Co3O4 to be a semiconductor but severely underestim...

The selection and assembly of materials are central issues in the development of smaller, more flexible batteries. Cobalt oxide has shown excellent electrochemical cycling properties and is thus under consideration as an electrode for advanced lithium batteries. We used viruses to synthesize and assemble nanowires of cobalt oxide at room temperature. By incorporating gold-binding peptides into ...

Single metal-organic frameworks (MOFs), constructed from the coordination between one-fold metal ions and organic linkers, show limited functionalities when used as precursors for nanoporous carbon materials. Herein, we propose to merge the advantages of zinc and cobalt metals ions into one single MOF crystal (i.e., bimetallic MOFs). The organic linkers that coordinate with cobalt ions tend to ...

Objective(s): According to the unique properties of magnetic nanoparticles, their usages in medicine and industry have increased in the last decade. Due to the vital role of liver in the body, the accumulation of CoFe2O4 and CoFe2O4@DMSA was studied. Materials and Methods:The nanoparticles were synthesized by co-precipitation method and were coated with DMSA. The techniques XRD, TEM, DLS, FTIR,...

band-to-band transitions, phonon modes, and oxidation properties of cobalt-oxide core-shell slanted columnar thin films" (2016).

Magnetic magnesium alloys can be utilised as a load sensitive material, in which the inverse magnetostrictive effect is used in order to measure the actual loads in structural components manufactured from such lightweight sensor alloys. To achieve a material which exhibits magnetic properties, magnesium is alloyed with ferromagnetic materials like cobalt or samarium-cobalt. In order to improve ...

One-dimensional cobalt nanostructures with large aspect ratio up to 450 have been prepared via a template-free hydrazine reduction route under external magnetic field assistance. The morphology and properties of cobalt nanostructures were characterized by scanning electron microscopy, X-ray diffractometer, and vibrating sample magnetometer. The roles of the reaction conditions such as temperatu...

In present study, the density functional theory (DFT-B3LYP) method with SVP basis set was used for optimizing and studying the electronic structural properties of cis and trans isomers of bis-(5-nitro-2H-tetrazolato-N2) tetraammine cobalt (III) perchlorate (BNCP) as powerful explosives at 298.15 K temperature and 1 atmosphere pressure. And also, Natural Bond Orbital (NBO) population analysis an...