Energy-transfer in porphyrin- functionalized graphene

We present a theoretical study on the molecule-substrate interaction within the porphyrin-functionalized graphene. Recent experiments on porphyrin-functionalized carbon nanotubes have revealed an extremely efficient energy transfer from the adsorbed molecules to the carbon substrate. To investigate the energy transfer mechanism, we have characterized the hybrid structure within the density functional theory including the calculation of the molecular transition dipole moment, which allows us to determine the Förster coupling rate. We find a strongly pronounced Förster-induced energy transfer in the range of fs-1 confirming the experimental observations. Side view on the graphene layer non-covalently functionalized with a porphyrin molecule. Malic et al. present a theoretical study on the molecule-substrate interaction in graphene functionalized with base-free tetraphenyl porphyrin. To investigate the energy transfer mechanism, the authors have characterized the hybrid structure within the density functional theory including the calculation of the molecular transition dipole moment, which allows determining the Förster coupling rate. A strongly pronounced Förster-induced energy transfer is found, confirming the experimental observations.