Concavity Effects on the Optical Properties of Aromatic Hydrocarbons
Concavity Effects on the Optical Properties of Aromatic Hydrocarbons
We study the modifications on the ground and excited state properties of polycyclic aromatic hydrocarbons (PAHs), induced by the variation of concavity and $\pi$-connectivity. Inspired by experimentally feasible systems, we study three series of PAHs, from H-saturated graphene flakes to geodesic buckybowls, related to the formation of fullerene C60 and …