RETRACTED ARTICLE: Experimental and theoretical investigations on the spinel structure of Co2O3 nanoparticles synthesized via simple co-precipitation method

Abstract

Nanostructured Co2O3 spinel is synthesized via simple co-precipitation method. The Co2O3 materials are analytically investigated with different techniques. However, the spinel type of Co2O3 nanoparticles showed attractive features for microwave and biomedical applications. X-ray diffraction (XRD) analysis indicates the growth of good crystalline Co2O3 nanoparticles with a cubic type. Field Emission Scanning Electron Microscope (FE-SEM) images of Co2O3 nanoparticles reveal spherical particles. In general, the magnetization of spinel Co2O3 nanoparticles demonstrates ferromagnetic order at low strength of the magnetic field. All the theoretical parameters of the metal oxide composite are done by utilizing DFT/B3LYP/LANL2DZ level of theory. The enhanced bond parameters, for example, bond lengths and bond angles, are determined utilizing same level of basis set. The non-linear optical (NLO) property of the title compound is assessed utilizing first appeal hyperpolarizability count. HOMO–LUMO investigation, the charge move ensues within the molecule. Moreover, Molecular electrostatic potential (MEP) and Mulliken atomic charges are likewise determined in detail.