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