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arXiv · 1906.06075

Route to Achieving Enhanced Quantum Capacitance in Functionalized Graphene based Supercapacitor Electrodes

Sruthi T·Kartick Tarafder
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Abstract

We have investigated the quantum capacitance ($C_Q$) in functionalized graphene, modified with ad-atoms from different groups in the periodic table. Changes in the electronic band structure of graphene upon functionalization and subsequently the quantum capacitance ($C_Q$) of the modified graphene were systematically analyzed using density functional theory(DFT) calculations. We observed that the quantum capacitance can be enhanced significantly by means of controlled doping of N, Cl and P ad-atoms in the pristine graphene surface. These ad-atoms are behaving as magnetic impurities in the system, generates a localized density of states near the Fermi energy, which intern increases charge(electron/hole) carrier density in the system. As a result, a very high quantum capacitance was observed. Finally, the temperature dependent study of $C_Q$ for Cl and N functionalized graphene shows that the CQ remains very high in a wide range of temperature near the room temperature.

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Sruthi T, Kartick Tarafder. 2019-06-14. Route to Achieving Enhanced Quantum Capacitance in Functionalized Graphene based Supercapacitor Electrodes. https://arxiv.org/abs/1906.06075

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