ABSTRACT
Thermal behavior and kinetic parameters of the formation of barium titanate nanoparticles were determined by differential scanning calorimetry analysis under nonisothermal heating conditions. Different isoconversional methods were used to determine the apparent activation energies of the multistep thermal processes. Kinetic deconvolution procedure was used to perform the overall kinetics of formation of BaTiO3 nanoparticles. In order to predict the physicogeometrical reaction mechanism, empirical kinetic model functions such as phase nucleation and growth-type model, RO(n) was employed. Bactericidal effect of the samples was analyzed on a clinical strain by Kirby–Bauer method using two human pathogenic bacteria Pseudomonas aeruginosa (Gram-negative) and Staphylococcus aureus (Gram-positive) and found to be effective to some extent. The band structure and density of state (DOS) of stable phase of BaTiO3 were investigated by means of DFT, Vienna Ab-initio Simulation Package (VASP); VASP was used for the DOS and structural optimization calculations. The prepared samples were identified and characterized by means of FTIR, UV–visible spectrometry, X-ray diffraction, scanning electron microscope, and transmission electron microscopy.
