After the discovery of graphene with its unique mechanical and electronic characteristics, a  number of other quasi-two-dimensional carbon structures were theoretically predicted, including octagraphene [1], pentagraphene [2], ψ-graphene [3], Stone-Wales (SW) graphene [4], as well as their various hydrogenated versions (graphane [5], pentagraphane [6], ψ-graphane [7] etc.). In this paper, SW graphane - a new allotropic modification of graphane is proposed. This quasi-two-dimensional structure is formed upon complete two-side hydrogenation of SW graphene. SW graphene is more thermodynamically stable than most other allotropic modification of carbon. This justifies possibility of the SW graphane formation.

Unlike graphane, SW graphane is an anisotropic and soft material. Depending on the direction, its Young's modulus is 194 - 221 N/m, whereas in isotropic graphane it  is 249 N/m. The density of phonon states in SW graphane differs from that in graphane. There are no sharp peaks in the density of phonon states of SW graphane, which are typical for graphane. The densities of electronic states in SW graphane and pristine graphane slightly differ from each other. As well, as for graphane, the main channel of thermal decomposition of SW graphane is the separation of atomic hydrogen. The desorption energies of hydrogen atoms for graphane and SW graphane are also very close.

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Podlivaev A.I.

 JETP Letters 110, issue 10 (2019)