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 C76 and the C76/electrolyte interface. The electronic investigation revealed the nature of the conductivity and charge storage mechanism of C76 based on the bandgap and quantum capacitance calculations. Also, the electrochemical and electronic properties of fullerene C76 have been extensively investigated over a wide pH range; acidic H2SO4, basic KOH, and neutral Na2SO4. The results showed a promising performance in the three electrolytes. Moreover, C76 electrodes exhibited a potential window of 1.9 V in Na2SO4 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 Na2SO4 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.

中文翻译：

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富勒烯C76：一种未经探索的优质电极材料，具有广阔的工作电位窗口，适用于高性能超级电容器

碳材料已被广泛用于增强大量超级电容器电极材料的性能。在这方面，至关重要的是要确定在宽的pH范围内起作用的碳材料，同时又要享有宽广的潜在窗口。在此，DFT计算用于阐明C76和C76 /电解质界面的电子性能。电子研究基于带隙和量子电容计算揭示了C76的电导率和电荷存储机制的性质。同样，已经在很宽的pH范围内对富勒烯C76的电化学和电子性质进行了广泛的研究。酸性H2SO4，碱性KOH和中性Na2SO4。结果显示在三种电解质中有希望的性能。此外，C76电极的电位窗口为1。在Na2SO4电解液中为9 V，在正电位窗口和负电位窗口中以1 mV / s的扫描速率分别产生171 F / g和142 F / g的电容。该材料在正电势窗口中的Na2SO4电解质中显示出65％的拟电容性能。我们相信高级富勒烯为开发多功能超级电容器器件提供了新的材料，以实现高效的能量存储。