Experimental and theoretical investigation of Bixbyite (Mn_0.8Ni_0.2)₂O₃ nanoparticles for magnetic and electrochemical applications

Highlights: • The electrochemical and magnetic properties of (Mn_0.8Ni_0.2)₂O₃ nanoparticles were studied. • XRD pattern confirms the nanocrystalline cubic structure with Ia-3 space group. • The CV measurements suggest that the nanoparticles are favorable to fast redox reactions. • The hysteresis magnetization curve reveals the ferromagnetic nature of the sample at 300 K. • In DFT studies confirm the half- metallic and ferromagnetic nature of the samples. - Abstract: Synthesis of Bixbyite phase nanocrystalline (Mn_0.8Ni_0.2)₂O₃ is achieved by a sol–gel method. X-ray diffraction pattern of the sample reveals the formation of cubic lattice type nanocrystalline with Ia-3 space group. The high-resolution transmission electron microscopy images show irregularly shaped cubic nanoparticles with average crystallite size of 25 nm. Symmetric anodic and cathodic cyclic Voltammetry curve suggests that the nanoparticles are favorable to fast redox reactions. The hysteresis behavior of the magnetization curve shows the ferromagnetic nature of the sample. Band structure and spin-polarized partial density of states confirm the half-metallic and ferromagnetic behavior of the sample.