This review provides a discussion of the current state of research on linear carbon structures
and related materials based on sp-hybridization of carbon atoms (polyynes and cumulenes) …

Linear, sp-hybridised, 1-dimensional (1D) all-carbon wires are conceptually the simplest π-
conjugated organic molecules. Their fundamental experimental and theoretical properties …

We report an extensive study of the properties of carbyne using first-principles calculations.
We investigate carbyne's mechanical response to tension, bending, and torsion …

Besides graphite and diamond, the solid allotropes of carbon in sp2 and sp3 hybridization,
the possible existence of a third allotrope based on the sp-carbon linear chain, the carbyne …

First-principles calculations for carbyne under strain predict that the Peierls transition from
symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material is …

Carbonaceous nanomaterials are widely considered in energy conversion and storage
applications owing to special structures and chemical-physical properties as well as …

The hydrogen storage capacity of a novel permeable material viz Yttrium (Y) decorated
zeolite templated carbon (ZTC) has been investigated using ab-initio DFT based …

Electrochemical energy storage technology has emerged as one of the most viable solutions
to tackle the challenge of fossil-fuel-based technology and associated global pollution …