Electrosynthesis of highly pure perovskite type YbMnO3 nanoparticles and its nanocomposite with conjugated polymer: Surface, density of state and electrochemical investigation

Abstract

Synthesis of highly pure YbMnO3 nanostructures was carried out in this study using the electrochemical method. A variety of mechanical features consisting of the particles’ size, strain as well as lattice constant, could be achieved through Nelson-Riley functions, Scherrer's equation, Williamson-Hall techniques, after which their comparison with computational as well as XRD data was performed. The use of full potential periodic density functional theory aimed at deriving comprehensive structural as well as electronic information on the YbMnO3 crystals. Employment of revised Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional aimed at bulk structure relaxation while the total post-processing estimations, including band structure and density of state (DOS), have been carried out using HSE technique. In the next step, POAP electro-polymerization was used while YbMnO3 nanoparticles were present to prepare the hybrid POAP/ YbMnO3 films, as active materials in energy storage devices, and subsequently improve the POAP film's electrochemical performance. Furthermore, a fabricated POAP/ YbMnO3 can deliver an excellent maximum energy density, considerable power density and higher cycling stability (91% capacitance retention following 3000 cycles test at high current density), indicating the significant likelihood for practical usage in energy storage and conversion systems.