Orchestrating a Supercapacitive Symphony: Copper–Metal Organic Framework Integrated MXene Nanosheets on Graphite Sheet Electrodes Unveiling Its Synergistic Interactions by Density Functional Theory Study
Sureka Kanthasamy, Thamarainathan Doulassiramane, Ramanathan Padmanaban, Selvaraju Thangavelu
Abstract
This study reports the successful synthesis of a Cu-based metal–organic framework (Cu MOF) integrated with delaminated titanium carbide MXene (D-MXene) to form a composite electrode material (Cu MOF/D-MXene) for high-performance supercapacitors at the graphite sheet (GS) electrode. The Cu MOF/D-MXene composite was fabricated using a simple solution-based approach and exhibited a remarkably high surface area of 933 m 2 g –1 . This exceptional surface area and the synergistic interaction between the Cu MOF and D-MXene resulted in an outstanding electrochemical performance. The Cu MOF/D-MXene electrode delivered a specific capacitance of 3249.92 F g – 1 at a current density of 1 A g – 1 in a three-electrode system with a 6 M KOH electrolyte. Density functional theory calculations supported the strong interfacial interaction between Cu MOF and D-MXene, with a calculated binding energy of −9.56 eV. Furthermore, an asymmetric supercapacitor device was constructed by using Cu MOF/D-MXene as the cathode and activated carbon as the anode. This device achieved a specific capacitance of 746.53 F g – 1 at 1 A g – 1 within a potential window of 1.5 V. Moreover, this study demonstrates excellent stability, retaining 95% of its initial capacitance after 10,000 cycles at a high current density of 15 A g – 1 . These findings highlight the potential of Cu MOF/D-MXene composites as promising electrode materials for next-generation supercapacitors with exceptional energy storage capabilities and long-term cycling stability.