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We have investigated the quantum capacitance ($C_Q$) in functionalizedgraphene, modified with ad-atoms from different groups in the periodic table.Changes in the electronic band structure of graphene upon functionalization andsubsequently the quantum capacitance ($C_Q$) of the modified graphene weresystematically analyzed using density functional theory(DFT) calculations. Weobserved that the quantum capacitance can be enhanced significantly by means ofcontrolled 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 alocalized density of states near the Fermi energy, which intern increasescharge(electron/hole) carrier density in the system. As a result, a very highquantum capacitance was observed. Finally, the temperature dependent study of$C_Q$ for Cl and N functionalized graphene shows that the CQ remains very highin a wide range of temperature near the room temperature.

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