Effects of non-halogenated solvent on the main properties of a solution-processed polymeric thin film for photovoltaic applications: a computational study.

Organic photovoltaic (OPV) devices have reached high power conversion efficiencies, but they are usually processed using halogenated toxic solvents. Hence, before OPV devices can be mass-produced by industrial processing, it would be desirable to replace those solvents with eco-friendly ones. Theoretical tools may be then a powerful ally in the search for those new solvents.