The material is called graphyne-n when benzene rings are connected by n sequential acetylene molecules, and graphdiyne for a particular case of n = 2 (diacetylene links).

The calculations used phonon dispersion curves and ab-initio finite temperature, quantum mechanical molecular dynamics simulations.

[citation needed] Due to the Dirac cones, the conduction and valence bands meet in a linear fashion at a single point in the Fermi level.

[10] This unique feature of its symmetry allows graphyne to self-dope meaning that it has two different Dirac cones lying slightly above and below the Fermi level.

[11] Graphyne samples synthesized to date have shown a melting point of 250-300 °C, low reactivity in decomposition reactions with oxygen, heat and light.

[9] It has been hypothesized that graphyne is preferable to graphene for specific applications owing to its particular energy structure, namely direction-dependent Dirac cones.

[10][15][16] Recently it was demonstrated that photoinduced electron transfer from electron-donating partners to γ-graphyne is favorable and occurs on nano to sub-picosecond time scale.