Graphyne and graphdiyne: theoretical insight into ground and excited state properties

The ground and excited state properties of the two carbon allotropes, graphyne (C 66 H 18 ) (gr1) and graphdiyne (C 90 H 18 ) (gr2), in the form of nanoflakes were studied with the help of density functional theory (DFT) and time dependent density functional theory (TDDFT).