Abstract
We investigated nanoplasmon dynamics in graphene flake (GF) monomers and dimers using real-time and real-space time-dependent density functional theory. By showing the characteristic features of dynamical polarizability, we verified that the two distinct peaks in the optical absorption spectra can be attributed to π and π + σ plasmons. We clearly show a significant difference between the on- and off-resonance responses of the π plasmon by demonstrating the spatial distribution of the induced charge and the electric field. We thus reveal the mechanism of plasmon-induced field enhancement near GF edges, which shows great importance of first-principles studies on molecular nanoplasmonics.
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