Fullerene C₇₆: An Unexplored Superior Electrode Material with Wide Operating Potential Window for High‐Performance Supercapacitors

Abstract

Abstract Carbon materials have widely been used to enhance the performance of a plethora of supercapacitor electrode materials. In this regard, it is crucial to identify carbon materials that function over a wide pH range while enjoying a wide potential window. Herein, the DFT calculations were used to elucidate the electronic performance of C 76 and the C 76 /electrolyte interface. The electronic investigation revealed the nature of the conductivity and charge storage mechanism of C 76 based on the bandgap and quantum capacitance calculations. Also, the electrochemical and electronic properties of fullerene C 76 have been extensively investigated over a wide pH range; acidic H 2 SO 4 , basic KOH, and neutral Na 2 SO 4 . The results showed a promising performance in the three electrolytes. Moreover, C 76 electrodes exhibited a potential window of 1.9 V in Na 2 SO 4 electrolyte, resulting in capacitances of 171 F/g and 142 F/g at a scan rate of 1 mV/s in the positive and negative potential windows, respectively. The material showed a pseudocapacitance performance of 65 % in Na 2 SO 4 electrolyte in the positive potential window. We believe higher fullerenes provide a new class of materials for developing versatile supercapacitor devices for efficient energy storage.