Quantum yield in polymer wrapped single walled carbon nanotubes: a computational model.

Quantum yield in polymer wrapped single walled carbon nanotubes (SWCNTs) has been computationally investigated using a 2D model of exciton decay with non-radiative channels due to the diffusive motion across the nanotube surface. Beside the role of SWCNT's ends as the exciton quenchers, we have considered the influence of the wrapping polymer through its chemistry and wrapping angle. The model has been solved exactly for zero-angle wrapping, a particular case when the polymer interfaces the nanotube along its axis. The general case has been treated numerically and it has been concluded that the wrapping angle has no relevant influence upon the quantum yield values which are of experimental interest. A wide range of quantum yield values computed in the present contribution can be helpful in understanding potentially available photoluminescence data of SWCNTs wrapped with a variety of polymer families.