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Nitrogen doping manipulates the local electronic structure and enhances the binding of the surface with ions present in the electrolyte. This feature improves the device performance in various applications such as fuel cells, biosensors, electronic devices and high-capacity energy storage devices. In this study, we employ Density Functional Theory (DFT) method to study the adsorption behavior of ionic liquids (ILs) on the nitrogen-doped graphene nanoflake surfaces (GNF@1N, GNF@2N, GNF@3N and GNF@4N). We find that the adsorption of ILs on the N-doped GNFs is controlled through several noncovalent interactions (mainly dispersion forces) and the binding process proceeds spontaneously. The Theory of Atoms in Molecules (AIM) and noncovalent interaction (NCI) analyses show that the interactions between ILs and N-doped GNFs are noncovalent in nature. The interaction strength of ILs with the surfaces …