Diamond monohydride: The most stable three-dimensional hydrocarbon

Abstract

Most of hydrocarbons are either molecular structures or linear polymeric chains. Discovery of graphene and manufacturing of its monohydride -- graphane incite interest in search for three-dimensional hydrocarbon polymers. However up to now all hypothetical hydrocarbon lattices significantly lose in energy to stacked graphane sheets and solid benzene. We propose completely covalently bonded solid carbon monohydride whose density significantly exceeds one of its isomers (graphane, cubane, solid benzene). Ab-initio calculation demonstrates that the cohesion energy of this structure at least is not worse than the energy of graphane and benzene. In some aspect the crystal structure of hydrocarbon presented can be regarded as a sublattice of diamond, but with the symmetry of P-3 space group (lattice parameters a ~ 6.925 A, c ~ 12.830 A) and Z=42 formula units per unit cell. This structure (if synthesized) may turn out to be interesting to applications.

References in corpus (5)

• Necessary and Sufficient Elastic Stability Conditions in Various Crystal Systems
• Control of graphene's properties by reversible hydrogenation
• Graphane: a two-dimensional hydrocarbon
• Functionalized adamantane: fundamental building blocks for nanostructure self-assembly
• Structure, stability and electronic properties of tricycle type graphane

Cited by in corpus (3)

• Size-dependent thermal stability and optical properties of ultra-small nanodiamonds synthesized under high pressure
• Bulk graphanes synthesized from benzene and pyridine
• Organic crystalline polymers: structural properties and way to synthesis under high pressure