N‐Terminalized Ti3C2Tx MXene for Supercapacitor with Extraordinary Pseudocapacitance Performance

Abstract MXenes have demonstrated significant potential in electrochemical energy storage, particularly in supercapacitors, owing to their exceptional properties. The surface terminal groups of MXene play a pivotal role in pseudocapacitive mechanism. Considering the hindered electrolyte ion transport caused by –F terminal groups and the limited ion binding sites associated with –O terminal groups, this study proposes a novel strategy of replacing –F with –N terminal groups. The modulated MXene‐N electrode, featuring a substantial number of –N terminal groups, demonstrates an exceptionally high gravimetric capacitance of 566 F g –1 (at a scan rate of 2 mV s –1 ) or 588 F g –1 (at a discharge rate of 1 A g –1 ) in 1 м H 2 SO 4 electrolyte, and the potential window is significantly increased. Furthermore, subsequent spectra analysis and density functional theory calculations are employed to investigate the mechanism associated with –N terminal groups. This work exemplifies the significance of terminal modulation in the context of electrochemical energy storage.