Abstract
The geometrically optimized structure of ten carbon diamond-like phases obtained by crosslinking graphene layers has been calculated using the density functional theory method and the structural parameters, densities, sublimation energies, and densities of electron states have been determined. Bulk moduli of diamond-like phases have been calculated using the PM3 semiempirical quantum-mechanical method. The X-ray powder diffraction patterns have been calculated based on structural parameters. These diffraction patterns can be used to identify new phases.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
