Interfacial Interaction in MeO_x/MWNTs (Me-Cu, Ni) Nanostructures as Efficient Electrode Materials for...

Due to their unique physical and chemical properties, complex nanostructures based on carbon nanotubes and transition metal oxides are considered promising electrode materials for the fabrication of high-performance supercapacitors with a fast charge rate, high power density, and long cycle life. The crucial role in determining their efficiency is played by the properties of the interface in such nanostructures, among them, the type of chemical bonds between their components. The complementary theoretical and experimental methods, including dispersion-corrected density functional theory (DFT-D3) within GGA-PBE approximation, scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman, X-ray photoelectron, and X-ray absorption spectroscopies, were applied in the present work for the comprehensive investigation of surface morphology, structure, and electronic properties in CuOx/MWCNTs and NiO_x/MWCNTs. As a result, the type of interfacial interaction and its correlation with electrochemical characteristics were determined. It was found that the presence of both Ni-O-C and Ni-C bonds can increase the contact between NiO and MWCNTs, and, through this, promote electron transfer between NiO and MWCNTs. For NiO_x/MWCNTs, better electrochemical characteristics were observed than for CuO_x/MWCNTs, in which the interfacial interaction is determined only by bonding through Cu-O-C bonds. The electrochemical properties of CuO_x/MWCNTs and NiO_x/MWCNTs were studied to demonstrate the effect of interfacial interaction on their efficiency as electrode materials for supercapacitor applications.