Employing a combination of the many-body configuration-interaction method described by an extended Hubbard model and first-principles calculations, we predict the emergence of high oscillator strength at the near-IR region which originates from the Davydov type of splitting in doped graphene quantum dots (GQDs). Incorporation of the strain in GQDs promotes closely spaced bright states that are pertinent to coherent excitation. Controlling the destructive interference of the functionalized-nanographene quantum states, the dark states can be tuned towards the red end, ensuring that the system is a good candidate for a photocell. On the other hand, the coherent states can be tailored to concentrate the light at a very high intensity, resulting in an opportunity for a photonic device.

• Received 5 February 2016

DOI:https://doi.org/10.1103/PhysRevApplied.6.044014

Condensed Matter & Materials Physics

Source: http://link.aps.org/doi/10.1103/PhysRevApplied.6.044014