Pentagraphene sheet/nanotube

[david888]

Hello Folks,

How to make a pentagraphene sheet using VNL? Is it possible to make a pentagraphene nanotube?

Thanks,

Kind regards,

[Petr Khomyakov]

Regarding the pentagraphene, you may, in principle, use the Crystal Builder to build the pentagraphene structure, see more details on the Crystal Builder at http://docs.quantumwise.com/tutorials/crystal_builder/crystal_builder.html. In the Crystal Builder, you would be able to manually set the unit cell lattice vectors, as well as the atomic positions for carbon atoms in the unit cell. For getting all that information about the actual structure, I guess you may use some published work where the unit cell structure of pentagraphene is reported, e.g., take a look at https://www.nature.com/articles/srep22672.