PPy-PdO modified MXene for flexible binder-free electrodes for asymmetric supercapacitors: Insights from experimental and DFT investigations

Binder-free, flexible electrodes of V2C MXene, V2C-PPy, and V2C-PPy-PdO (a ternary composite of vanadium carbide, polypyrrole, and palladium oxide) were fabricated using a simplified, one-step electrodeposition method. A comprehensive assessment has subsequently been conducted on the microstructural and electrochemical attributes of these electrode materials when utilized in supercapacitors with a 1 M H2SO4 electrolyte. Notably, an impressive specific capacitance of 487F g−1 is achieved for V2C-PPy-PdO ternary composite at 1 A/g. This exceptional performance is due to the considerable active surface area and inherent structural stability of the host material. These factors significantly enhanced the electrochemical reaction kinetics and cyclic reversibility. Furthermore, the V2C-PPy-PdO composite demonstrated a notable specific capacitance of 250F g−1 when integrated into an asymmetric coin cell configuration alongside activated porous carbon under a current density of 1 A/g. Remarkably, it maintained an outstanding capacitance retention of 92 % across 10,000 charge–discharge cycles. Our experimental discoveries were additionally substantiated through the Density Functional Theory calculations, which unveiled that the inclusion of PdO within the V2C-PPy-PdO composite led to an augmentation of electronic states near the Fermi level. This increase in electronic states ultimately improved the quantum capacitance, rendering the V2C-PPy-PdO composite a highly promising candidate for supercapacitor applications.