First-Principles Calculation of Quantum Capacitance of Codoped Graphenes as Supercapacitor Electrodes

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• 作者：Morteza Mousavi-Khoshdel ; Ehsan Targholi ; Mohammad J. Momeni
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：November 25, 2015
• 年：2015
• 卷：119
• 期：47
• 页码：26290-26295
• 全文大小：451K
• ISSN：1932-7455

文摘

Because of their many advantages, graphene and graphene-based materials are used in supercapacitor electrodes. The main limitation of these electrodes is their low quantum capacitance, which is a direct result of the shortage of states near the Fermi level. Using first-principles density functional theory calculations, this report explored the quantum capacitances of Si-, S-, and P-doped graphenes and the same materials codoped with nitrogen. The findings imply that using phosphorus- and nitrogen-doped graphenes as electrode materials for supercapacitors could be a worthwhile strategy. Quantum capacitance calculations confirmed the greater advantage of some codoped graphenes compared with doped and pristine graphene.