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In this study, based on density functional theory (DFT), we propose a newbranch of pseudo-fullerenes which contain triple bonds with sp hybridization.We should call these new nanostructures fullerynes, according to IUPAC. Wepresent four samples with the chemical formula of C4nHn, and structures derivedfrom fullerenes. We compare the structural and electronic properties of thesestructures with those of two common fullerene and fullerene systems. Thecalculated electron affinities of the sampled fullerynes are negative, and muchsmaller than those of fullerenes, so they should be chemically more stable thanfullerenes. Although fulleranes also exhibit higher chemical stability thanfullerynes, but pentagon or hexagon of the fullerane structures cannot passions and molecules. Applications of fullerynes can be included in the storageof ions and gases at the nanoscale. On the other hand, they can also be used ascathode/anode electrodes in lithium-ion batteries.

Fulleryne, a new member of the carbon cages family